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1000018 07 4 | Cheminformatics

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
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100007-67-8highnonelowC5H7OClF2156.559-12.702
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
100-00-5nonenonenoneC6H4NO2Cl157.556-7.4592
10002-30-9nonenonenoneC12H9NOS215.2750.083087
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6
1000-63-1nonenonehighC8H18O130.23-19.78
100020-83-5nonenonelowC7H11O3B153.972-20.814
10001-08-8nonenonehighC11H22N2O198.309-3.1037
100008-84-2nonenonenoneC22H14N2O2338.3653.1859
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
100-53-8nonehighhighC7H8S124.207-6.3177
1000-00-6nonenonehighC10H26OSi2218.487-62.76
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
100004-54-4nonehighnoneC4H8Te183.708-3.9699
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100004-79-3nonenonenoneC13H11NO2213.235-1.5864
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-07-2highhighlowC8H7O2Cl170.595-10.49
1000-83-5lowhighhighC2H6N2OS106.149-2.264
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
1000269-68-0nonenonenoneC14H24N4248.3730.99367
1000-58-4highhighhighC4H8Cl4Si226.006-54.611
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000-90-4nonenonenoneZn.C4H7OS2.C4H7OS2135.231-2.7683
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449
1000171-05-0nonenonenoneC27H37O3P440.562-24.592
1000269-71-5nonenonehighC12H18N2O2222.287-10.925
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-26-5nonenonenoneC7H5NO4167.12-1.5746
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653
1000-82-4lowhighhighC2H6N2O290.08160.41759
100-94-7nonenonenoneCl.C16H20N226.342-1.9788
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
1000018-06-3nonenonenoneC8H8N3Br226.0770.34749
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
100-91-4nonenonehighC17H25NO3291.393.3475
1000-46-0nonenonenoneC7H18Ge174.83-4.6976
1000335-27-2nonenonenoneC10H15N4OCl242.7090.81574
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
1000-50-6nonenonehighC6H15ClSi150.724-84.768
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-96-9highnonenoneC7H10N2O138.169-1.7412
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100-75-4highhighhighC5H10N2O114.147-0.86877
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975
100019-40-7nonenonenoneC14H15NO3245.277-1.947
1000-70-0nonelowhighC7H18N2Si2186.406-43.673
100033-59-8nonenonenoneC8H16N2140.2290.9406