3-(3-chlorophenyl)sulfonyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Formula:C21H14N5O2ClS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(3-chlorophenyl)sulfonyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-(3-chlorophenyl)sulfonyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C21H14N5O2ClS2 |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2cccs2)c1S(c1cccc(Cl)c1)(=O)=O |
| InChI | InChI=1S/C21H14ClN5O2S2/c22-13-5-3-7-15(11-13)31(28,29)19-18-21(26-17-9-2-1-8-16(17)25-18)27(20(19)23)24-12-14-6-4-10-30-14/h1-12H,23H2 |
| InChIK | XJLIKAGAXXSXSX-UHFFFAOYSA-N |
| TotalMolweight | 467.96 |
| Molweight | 467.96 |
| MonoisotopicMass | 467.027742 |
| CLogP | 4.1927 |
| CLogS | -9.314 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 321.92 |
| Relative PSA | 0.32471 |
| PolarSurfaceArea | 139.85 |
| Druglikeness | 1.28 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 3-(3-chlorophenyl)sulfonyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine | 2 - 3-(3-chlorophenyl)sulfonyl-1-[(Z)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
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