N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide
Formula:C13H10N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]benzenesulfonamide |
| MolecularFormula | C13H10N3O4ClS |
| Smiles | [O-][N+](c(cc(/C=N\NS(c1ccccc1)(=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C13H10ClN3O4S/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-22(20,21)11-4-2-1-3-5-11/h1-9,16H |
| InChIK | MCRVJPWIYPVFKS-UHFFFAOYSA-N |
| TotalMolweight | 339.758 |
| Molweight | 339.758 |
| MonoisotopicMass | 339.008054 |
| CLogP | 1.9615 |
| CLogS | -3.112 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 236.91 |
| Relative PSA | 0.346 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -12.681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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