[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] benzenesulfonate
Formula:C14H13N3O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] benzenesulfonate |
| MolecularFormula | C14H13N3O4S |
| Smiles | NC(N/N=C\c(cc1)ccc1OS(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C14H13N3O4S/c15-14(18)17-16-10-11-6-8-12(9-7-11)21-22(19,20)13-4-2-1-3-5-13/h1-10H,(H3,15,17,18) |
| InChIK | YQERVFOCEBZTQA-UHFFFAOYSA-N |
| TotalMolweight | 319.34 |
| Molweight | 319.34 |
| MonoisotopicMass | 319.062677 |
| CLogP | 2.0142 |
| CLogS | -3.588 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234.09 |
| Relative PSA | 0.38387 |
| PolarSurfaceArea | 119.23 |
| Druglikeness | -1.0428 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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