4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]benzenesulfonamide
Formula:C14H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C14H13N3O4S |
| Smiles | NS(c(cc1)ccc1N/N=C\c(cc1)cc2c1OCO2)(=O)=O |
| InChI | InChI=1S/C14H13N3O4S/c15-22(18,19)12-4-2-11(3-5-12)17-16-8-10-1-6-13-14(7-10)21-9-20-13/h1-8,17H,9H2,(H2,15,18,19) |
| InChIK | BQLUTPINXUQNRD-UHFFFAOYSA-N |
| TotalMolweight | 319.34 |
| Molweight | 319.34 |
| MonoisotopicMass | 319.062677 |
| CLogP | 3.7163 |
| CLogS | -3.759 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 226.6 |
| Relative PSA | 0.38314 |
| PolarSurfaceArea | 111.39 |
| Druglikeness | 3.8327 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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