| MolName | 4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C13H10N4O4Cl2S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(ccc(Cl)c1)c1Cl)(=O)=O |
| InChI | InChI=1S/C13H10Cl2N4O4S/c14-9-2-1-8(11(15)5-9)7-17-18-12-4-3-10(24(16,22)23)6-13(12)19(20)21/h1-7,18H,(H2,16,22,23) |
| InChIK | PYNLAGKEKJWQPJ-UHFFFAOYSA-N |
| TotalMolweight | 389.218 |
| Molweight | 389.218 |
| MonoisotopicMass | 387.97998 |
| CLogP | 3.8953 |
| CLogS | -4.98 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 260.85 |
| Relative PSA | 0.37278 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -3.2987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide