[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-(3-chlorophenyl)sulfonylazanide
Formula:C20H12N5O4Cl2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-(3-chlorophenyl)sulfonylazanide is a drug-like molecule.
| MolName | [3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-(3-chlorophenyl)sulfonylazanide |
| MolecularFormula | C20H12N5O4Cl2S |
| Smiles | [O-][N+](c(cc(cc1)Nc2nc3ccccc3nc2[N-]S(c2cc(Cl)ccc2)(=O)=O)c1Cl)=O |
| InChI | InChI=1S/C20H12Cl2N5O4S/c21-12-4-3-5-14(10-12)32(30,31)26-20-19(24-16-6-1-2-7-17(16)25-20)23-13-8-9-15(22)18(11-13)27(28)29/h1-11H,(H-,23,24,25,26)/q-1 |
| InChIK | CLLGJAGJBCTEPX-UHFFFAOYSA-N |
| TotalMolweight | 489.318 |
| Molweight | 489.318 |
| MonoisotopicMass | 487.998704 |
| CLogP | 4.1003 |
| CLogS | -7.315 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 319.45 |
| Relative PSA | 0.28925 |
| PolarSurfaceArea | 126.15 |
| Druglikeness | -12.125 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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