4-[(2Z)-2-benzylidenehydrazinyl]-3-nitrobenzenesulfonamide
Formula:C13H12N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-benzylidenehydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-benzylidenehydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C13H12N4O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccccc1)(=O)=O |
| InChI | InChI=1S/C13H12N4O4S/c14-22(20,21)11-6-7-12(13(8-11)17(18)19)16-15-9-10-4-2-1-3-5-10/h1-9,16H,(H2,14,20,21) |
| InChIK | RRYNAYLWPLVORE-UHFFFAOYSA-N |
| TotalMolweight | 320.328 |
| Molweight | 320.328 |
| MonoisotopicMass | 320.057926 |
| CLogP | 2.6833 |
| CLogS | -3.508 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 230.01 |
| Relative PSA | 0.42276 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -4.4317 |
| 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 | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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