3-(benzenesulfonyl)-1-[(Z)-benzylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Formula:C23H17N5O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-1-[(Z)-benzylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-1-[(Z)-benzylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C23H17N5O2S |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2ccccc2)c1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C23H17N5O2S/c24-22-21(31(29,30)17-11-5-2-6-12-17)20-23(27-19-14-8-7-13-18(19)26-20)28(22)25-15-16-9-3-1-4-10-16/h1-15H,24H2 |
| InChIK | QDEQNCOZBSDVJI-UHFFFAOYSA-N |
| TotalMolweight | 427.487 |
| Molweight | 427.487 |
| MonoisotopicMass | 427.110295 |
| CLogP | 3.7201 |
| CLogS | -8.568 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 310.56 |
| Relative PSA | 0.27103 |
| PolarSurfaceArea | 111.61 |
| Druglikeness | -4.7391 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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