3-(benzenesulfonyl)-6,8-dibromoquinolin-2-amine
Formula:C15H10N2O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-6,8-dibromoquinolin-2-amine is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-6,8-dibromoquinolin-2-amine |
| MolecularFormula | C15H10N2O2Br2S |
| Smiles | Nc(nc1c(Br)cc(Br)cc1c1)c1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H10Br2N2O2S/c16-10-6-9-7-13(15(18)19-14(9)12(17)8-10)22(20,21)11-4-2-1-3-5-11/h1-8H,(H2,18,19) |
| InChIK | ODFJNJPPNXROFB-UHFFFAOYSA-N |
| TotalMolweight | 442.13 |
| Molweight | 442.13 |
| MonoisotopicMass | 439.88297 |
| CLogP | 3.8053 |
| CLogS | -6.127 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.74 |
| Relative PSA | 0.22771 |
| PolarSurfaceArea | 81.43 |
| Druglikeness | -11.379 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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