N-[(Z)-benzylideneamino]-N-nitrobenzenesulfonamide
Formula:C13H11N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-N-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-N-nitrobenzenesulfonamide |
| MolecularFormula | C13H11N3O4S |
| Smiles | [O-][N+](N(/N=C\c1ccccc1)S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C13H11N3O4S/c17-16(18)15(14-11-12-7-3-1-4-8-12)21(19,20)13-9-5-2-6-10-13/h1-11H |
| InChIK | WQVSVKXPDKCTSK-UHFFFAOYSA-N |
| TotalMolweight | 305.313 |
| Molweight | 305.313 |
| MonoisotopicMass | 305.047027 |
| CLogP | 2.4339 |
| CLogS | -3.007 |
| H Acceptors | 7 |
| TotalSurfaceArea | 220.33 |
| Relative PSA | 0.33613 |
| PolarSurfaceArea | 103.94 |
| Druglikeness | -7.8856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; N-nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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