3-nitro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C12H11N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C12H11N5O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cnccc1)(=O)=O |
| InChI | InChI=1S/C12H11N5O4S/c13-22(20,21)10-3-4-11(12(6-10)17(18)19)16-15-8-9-2-1-5-14-7-9/h1-8,16H,(H2,13,20,21) |
| InChIK | XYLRPLACZHWWMF-UHFFFAOYSA-N |
| TotalMolweight | 321.316 |
| Molweight | 321.316 |
| MonoisotopicMass | 321.053175 |
| CLogP | 1.6824 |
| CLogS | -2.713 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 228.77 |
| Relative PSA | 0.47301 |
| PolarSurfaceArea | 151.64 |
| Druglikeness | -3.7316 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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