[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C23H19N2O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C23H19N2O3ClS |
| Smiles | O=C(CSCc(cccc1)c1Cl)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H19ClN2O3S/c24-21-9-5-4-8-19(21)15-30-16-22(27)26-25-14-17-10-12-20(13-11-17)29-23(28)18-6-2-1-3-7-18/h1-14H,15-16H2,(H,26,27) |
| InChIK | MSAXLRAXUOHIEZ-UHFFFAOYSA-N |
| TotalMolweight | 438.934 |
| Molweight | 438.934 |
| MonoisotopicMass | 438.08049 |
| CLogP | 5.4277 |
| CLogS | -6.713 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.93 |
| Relative PSA | 0.22853 |
| PolarSurfaceArea | 93.06 |
| Druglikeness | 4.4367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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