3-nitro-4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C11H10N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C11H10N4O4S2 |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cscc1)(=O)=O |
| InChI | InChI=1S/C11H10N4O4S2/c12-21(18,19)9-1-2-10(11(5-9)15(16)17)14-13-6-8-3-4-20-7-8/h1-7,14H,(H2,12,18,19) |
| InChIK | PJJYVLXMECNKMV-UHFFFAOYSA-N |
| TotalMolweight | 326.356 |
| Molweight | 326.356 |
| MonoisotopicMass | 326.014346 |
| CLogP | 2.4677 |
| CLogS | -3.408 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 225.95 |
| Relative PSA | 0.52047 |
| PolarSurfaceArea | 166.99 |
| Druglikeness | -3.8242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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