[4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
Formula:C27H21N2O5ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzenesulfonate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzenesulfonate |
| MolecularFormula | C27H21N2O5ClS |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C27H21ClN2O5S/c28-23-12-6-21(7-13-23)19-34-24-16-10-22(11-17-24)27(31)30-29-18-20-8-14-25(15-9-20)35-36(32,33)26-4-2-1-3-5-26/h1-18H,19H2,(H,30,31) |
| InChIK | POIQVUWADPGFBV-UHFFFAOYSA-N |
| TotalMolweight | 520.992 |
| Molweight | 520.992 |
| MonoisotopicMass | 520.08597 |
| CLogP | 6.0346 |
| CLogS | -6.572 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 384.27 |
| Relative PSA | 0.22013 |
| PolarSurfaceArea | 102.44 |
| Druglikeness | 0.33679 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| StereoCon |
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