3-(benzenesulfonyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Formula:C23H16N5O2FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-(benzenesulfonyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C23H16N5O2FS |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c(cc2)ccc2F)c1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C23H16FN5O2S/c24-16-12-10-15(11-13-16)14-26-29-22(25)21(32(30,31)17-6-2-1-3-7-17)20-23(29)28-19-9-5-4-8-18(19)27-20/h1-14H,25H2 |
| InChIK | MXGOQUXFXNNZRU-UHFFFAOYSA-N |
| TotalMolweight | 445.477 |
| Molweight | 445.477 |
| MonoisotopicMass | 445.100873 |
| CLogP | 3.8209 |
| CLogS | -8.882 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 316.91 |
| Relative PSA | 0.2656 |
| PolarSurfaceArea | 111.61 |
| Druglikeness | -5.5562 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| 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 | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 3-(benzenesulfonyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine | 2 - 3-(benzenesulfonyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
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