[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] benzenesulfonate
Formula:C20H16N2O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] benzenesulfonate |
| MolecularFormula | C20H16N2O4S |
| Smiles | O=C(c1ccccc1)N/N=C\c(cc1)ccc1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C20H16N2O4S/c23-20(17-7-3-1-4-8-17)22-21-15-16-11-13-18(14-12-16)26-27(24,25)19-9-5-2-6-10-19/h1-15H,(H,22,23) |
| InChIK | RTCZRWBJRNYMBR-UHFFFAOYSA-N |
| TotalMolweight | 380.423 |
| Molweight | 380.423 |
| MonoisotopicMass | 380.083078 |
| CLogP | 4.0805 |
| CLogS | -4.495 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 285.33 |
| Relative PSA | 0.26142 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | -0.56105 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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