1-[(Z)-benzylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
Formula:C23H16N5O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-benzylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-benzylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C23H16N5O2ClS |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c2ccccc2)c1S(c1cccc(Cl)c1)(=O)=O |
| InChI | InChI=1S/C23H16ClN5O2S/c24-16-9-6-10-17(13-16)32(30,31)21-20-23(28-19-12-5-4-11-18(19)27-20)29(22(21)25)26-14-15-7-2-1-3-8-15/h1-14H,25H2 |
| InChIK | OTBCODNQBRNHQD-UHFFFAOYSA-N |
| TotalMolweight | 461.932 |
| Molweight | 461.932 |
| MonoisotopicMass | 461.071322 |
| CLogP | 4.3261 |
| CLogS | -9.304 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.98 |
| Relative PSA | 0.25821 |
| PolarSurfaceArea | 111.61 |
| Druglikeness | 0.014246 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 1-[(Z)-benzylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine | 2 - 1-[(Z)-benzylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
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