3-(3-chlorophenyl)sulfonyl-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
Formula:C23H15N5O2ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-(3-chlorophenyl)sulfonyl-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-(3-chlorophenyl)sulfonyl-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine |
| MolecularFormula | C23H15N5O2ClFS |
| Smiles | Nc(n(c1nc2ccccc2nc11)/N=C\c(cc2)ccc2F)c1S(c1cccc(Cl)c1)(=O)=O |
| InChI | InChI=1S/C23H15ClFN5O2S/c24-15-4-3-5-17(12-15)33(31,32)21-20-23(29-19-7-2-1-6-18(19)28-20)30(22(21)26)27-13-14-8-10-16(25)11-9-14/h1-13H,26H2 |
| InChIK | PLWNSLHPAIXBPB-UHFFFAOYSA-N |
| TotalMolweight | 479.922 |
| Molweight | 479.922 |
| MonoisotopicMass | 479.0619 |
| CLogP | 4.4269 |
| CLogS | -9.618 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 332.33 |
| Relative PSA | 0.25327 |
| PolarSurfaceArea | 111.61 |
| Druglikeness | -0.76881 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 - 3-(3-chlorophenyl)sulfonyl-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine | 2 - 3-(3-chlorophenyl)sulfonyl-1-[(Z)-(4-fluorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
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