Chemical : 1-Methyl-4-phenoxy-1H-indazol-3-amine
Casrn : 1000018-07-4 |
MolName : 1-Methyl-4-phenoxy-1H-indazol-3-amine |
MolecularFormula : C14H13N3O |
Smiles : Cn(c1cccc(Oc2ccccc2)c11)nc1N |
InChI : InChI=1S/C14H13N3O/c1-17-11-8-5-9-12(13(11)14(15)16-17)18-10-6-3-2-4-7-10/h2-9H,1H3,(H2,15,16) |
InChIK : WRWPMLQRWYBBLY-UHFFFAOYSA-N |
CanonicalSyTyLFy : 4479f2ac4b726cf6 |
TotalMolweight : 239.277 |
Molweight : 239.277 |
MonoisotopicMass : 239.105862 |
CLogP : 2.1085 |
CLogS : -4.782 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 186.36 |
Relative PSA : 0.23133 |
PolarSurfaceArea : 53.07 |
Druglikeness : 1.9531 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.55556 |
Molecula Flexibility : 0.40052 |
Molecular Complexity : 0.79493 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
1000296-70-7 | none | none | none | C19H27NO7S3 | 477.621 | 3.1322 |
10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 |
1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 |
1000339-55-8 | none | none | none | C9H7O2F3 | 204.147 | -12.197 |
100-00-5 | none | none | none | C6H4NO2Cl | 157.556 | -7.4592 |
10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 |
1000017-92-4 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
100020-83-5 | none | none | low | C7H11O3B | 153.972 | -20.814 |
10001-08-8 | none | none | high | C11H22N2O | 198.309 | -3.1037 |
100008-84-2 | none | none | none | C22H14N2O2 | 338.365 | 3.1859 |
10003-95-9 | none | none | none | C10H18N2O17P4 | 562.146 | -25.989 |
100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
1000-00-6 | none | none | high | C10H26OSi2 | 218.487 | -62.76 |
100012-49-5 | none | none | none | C10H2O4Br4 | 505.738 | -8.4981 |
100-34-5 | none | none | none | Cl.C6H5N2 | 105.12 | -4.365 |
100004-54-4 | none | high | none | C4H8Te | 183.708 | -3.9699 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
100004-79-3 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
100-07-2 | high | high | low | C8H7O2Cl | 170.595 | -10.49 |
1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 |
100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
1000269-68-0 | none | none | none | C14H24N4 | 248.373 | 0.99367 |
1000-58-4 | high | high | high | C4H8Cl4Si | 226.006 | -54.611 |
1000269-67-9 | none | none | none | C13H22N4 | 234.346 | 0.99367 |
1000-90-4 | none | none | none | Zn.C4H7OS2.C4H7OS2 | 135.231 | -2.7683 |
100-01-6 | none | none | none | C6H6N2O2 | 138.126 | -7.2389 |
1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
1000025-59-1 | none | none | none | C14H11O3Cl | 262.691 | -1.449 |
1000171-05-0 | none | none | none | C27H37O3P | 440.562 | -24.592 |
1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
100020-34-6 | none | none | none | C13H18S2 | 238.418 | -0.23079 |
100-26-5 | none | none | none | C7H5NO4 | 167.12 | -1.5746 |
100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 |
1000-82-4 | low | high | high | C2H6N2O2 | 90.0816 | 0.41759 |
100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
1000018-23-4 | none | none | none | C12H17N3O3 | 251.285 | 2.8124 |
1000068-26-7 | none | none | none | C13H15NO4BF | 279.074 | -46.077 |
1000018-06-3 | none | none | none | C8H8N3Br | 226.077 | 0.34749 |
1000269-51-1 | none | none | none | C13H12NO4B | 257.052 | -12.285 |
1000120-98-8 | high | none | high | C230H305N67O122P19S19 | 7158.06 | -20.81 |
100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 |
1000-46-0 | none | none | none | C7H18Ge | 174.83 | -4.6976 |
1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |
1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
1000-50-6 | none | none | high | C6H15ClSi | 150.724 | -84.768 |
1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 |
100-96-9 | high | none | none | C7H10N2O | 138.169 | -1.7412 |
100-77-6 | none | none | none | C6H4N2Cl.Cl | 139.565 | -4.1248 |
100-75-4 | high | high | high | C5H10N2O | 114.147 | -0.86877 |
1000339-25-2 | none | none | none | C14H8N2OBrF | 319.133 | -1.9975 |
100019-40-7 | none | none | none | C14H15NO3 | 245.277 | -1.947 |
1000-70-0 | none | low | high | C7H18N2Si2 | 186.406 | -43.673 |
100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 |