N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-nitrobenzenesulfonamide
Formula:C13H9N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-nitrobenzenesulfonamide |
| MolecularFormula | C13H9N3O4Cl2S |
| Smiles | [O-][N+](c(cc1)ccc1S(N/N=C\c(cc1)cc(Cl)c1Cl)(=O)=O)=O |
| InChI | InChI=1S/C13H9Cl2N3O4S/c14-12-6-1-9(7-13(12)15)8-16-17-23(21,22)11-4-2-10(3-5-11)18(19)20/h1-8,17H |
| InChIK | RQUCMIANFRTAJB-UHFFFAOYSA-N |
| TotalMolweight | 374.203 |
| Molweight | 374.203 |
| MonoisotopicMass | 372.969081 |
| CLogP | 2.5675 |
| CLogS | -3.848 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 252.33 |
| Relative PSA | 0.32485 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -6.1475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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