4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C12H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C12H12N4O2S |
| Smiles | NS(c(cc1)ccc1N/N=C\c1ccncc1)(=O)=O |
| InChI | InChI=1S/C12H12N4O2S/c13-19(17,18)12-3-1-11(2-4-12)16-15-9-10-5-7-14-8-6-10/h1-9,16H,(H2,13,17,18) |
| InChIK | NGAFNXJHMAYXMD-UHFFFAOYSA-N |
| TotalMolweight | 276.319 |
| Molweight | 276.319 |
| MonoisotopicMass | 276.068096 |
| CLogP | 2.604 |
| CLogS | -2.253 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 205.1 |
| Relative PSA | 0.37928 |
| PolarSurfaceArea | 105.82 |
| Druglikeness | 3.4775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide | 2 - 4-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzenesulfonamide
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