4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide
Formula:C20H19N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide is a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(3-oxocyclohexylidene)amino]benzamide |
| MolecularFormula | C20H19N2O2ClS |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C20H19ClN2O2S/c21-16-8-10-19(11-9-16)26-13-14-4-6-15(7-5-14)20(25)23-22-17-2-1-3-18(24)12-17/h4-11H,1-3,12-13H2,(H,23,25) |
| InChIK | JNBQVNYNHKJLDZ-UHFFFAOYSA-N |
| TotalMolweight | 386.902 |
| Molweight | 386.902 |
| MonoisotopicMass | 386.085575 |
| CLogP | 4.8113 |
| CLogS | -6.4 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.16 |
| Relative PSA | 0.22853 |
| PolarSurfaceArea | 83.83 |
| Druglikeness | -0.59438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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