Chemical : 4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine
Casrn : 1000068-42-7 |
MolName : 4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine |
MolecularFormula : C10H11NO3BrFS |
Smiles : O=S(c(ccc(Br)c1)c1F)(N1CCOCC1)=O |
InChI : InChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2 |
InChIK : BQYQHCWRUSXGLN-UHFFFAOYSA-N |
CanonicalSyTyLFy : f4377f1b6148921 |
TotalMolweight : 324.169 |
Molweight : 324.169 |
MonoisotopicMass : 322.962703 |
CLogP : 1.5284 |
CLogS : -1.97 |
H Acceptors : 4 |
TotalSurfaceArea : 188.66 |
Relative PSA : 0.22331 |
PolarSurfaceArea : 54.99 |
Druglikeness : -2.2263 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58824 |
Molecula Flexibility : 0.45532 |
Molecular Complexity : 0.70898 |
Fragments : 1 |
Non HAtoms : 17 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 6 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
100002-29-7 | none | none | none | C12H18N2O3 | 238.286 | 2.8956 |
1000339-29-6 | none | none | none | C14H15N2OBr | 307.19 | -5.8756 |
1000339-22-9 | none | none | none | C8H5NO4F2 | 217.127 | -8.0943 |
1000018-26-7 | none | none | none | C16H23NO3 | 277.363 | -15.052 |
100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 |
100-33-4 | none | none | none | C19H24N4O2 | 340.426 | -7.2784 |
100033-12-3 | none | none | none | C11H10N3O2Br | 296.123 | -13.354 |
100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
1000-22-2 | low | high | low | C6H14O2FPS | 200.213 | -11.052 |
1000160-96-2 | none | none | none | C24H28N2O3.C2H4O2 | 392.497 | 1.9926 |
1000-41-5 | none | none | low | C10H18O | 154.252 | -9.05 |
100009-88-9 | none | none | none | C18H45N7 | 359.604 | -4.1108 |
100004-94-2 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
100021-47-4 | none | none | none | C13H17N5O6 | 339.307 | -2.7249 |
100-59-4 | none | none | none | Cl.C6H5Mg | 101.411 | -2.3575 |
1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
100-46-9 | none | none | none | C7H9N | 107.155 | -2.0712 |
100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 |
100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 |
100-92-5 | none | none | none | C11H17N | 163.263 | 1.1672 |
1000339-51-4 | none | none | none | C7H4NO4F | 185.11 | -8.2861 |
10-18-2004 | none | none | none | C6H8OS2 | 160.261 | -3.1913 |
100020-94-8 | high | none | low | C12H17OCl | 212.719 | -11.962 |
1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
100031-76-3 | none | none | none | C30H44NO8P | 577.652 | -46.719 |
1000269-68-0 | none | none | none | C14H24N4 | 248.373 | 0.99367 |
100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
1000-70-0 | none | low | high | C7H18N2Si2 | 186.406 | -43.673 |
100018-96-0 | high | high | none | C20H39O2I | 438.428 | -31.232 |
1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |
100-13-0 | none | none | low | C8H7NO2 | 149.149 | -10.212 |
1000018-25-6 | none | none | none | C13H24N2O6S | 336.408 | -32.405 |
100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 |
100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |
100004-93-1 | none | high | none | C16H11NO2 | 249.268 | -1.5746 |
100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
10000-20-1 | none | low | high | C12H32N2Si2 | 260.572 | -64.51 |
1000166-63-1 | none | high | none | C20H23N8O2Br | 487.361 | -0.90793 |
100005-12-7 | none | none | low | C11H10NCl | 191.66 | 2.2675 |
100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 |
100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 |
1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
1000018-58-5 | none | none | none | C6H4NBr2Cl | 285.366 | -3.6 |
100-89-0 | none | none | low | C18H36O6B2 | 370.1 | -16.157 |
100027-27-8 | none | none | none | CH3I.C20H24N2 | 292.425 | 3.4994 |
100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
100004-54-4 | none | high | none | C4H8Te | 183.708 | -3.9699 |
100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 |
1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 |
100-17-4 | none | none | none | C7H7NO3 | 153.137 | -7.2945 |
100-14-1 | high | high | low | C7H6NO2Cl | 171.583 | -7.5061 |
1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 |
100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 |
1000017-93-5 | none | none | none | C8H5N2O2Cl | 196.593 | 2.9136 |
100020-34-6 | none | none | none | C13H18S2 | 238.418 | -0.23079 |
100-53-8 | none | high | high | C7H8S | 124.207 | -6.3177 |
100-39-0 | high | high | none | C7H7Br | 171.037 | -7.8241 |