| MolName | 4-chloro-N-[(E)-[cyclohexyl(phenyl)methylidene]amino]benzamide |
| MolecularFormula | C20H21N2OCl |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C(\C1CCCCC1)/c1ccccc1 |
| InChI | InChI=1S/C20H21ClN2O/c21-18-13-11-17(12-14-18)20(24)23-22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,24) |
| InChIK | YHANGJRPWJKJQV-UHFFFAOYSA-N |
| TotalMolweight | 340.853 |
| Molweight | 340.853 |
| MonoisotopicMass | 340.13424 |
| CLogP | 5.0896 |
| CLogS | -6.143 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.42 |
| Relative PSA | 0.13416 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.78397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 4-chloro-N-[(E)-[cyclohexyl(phenyl)methylidene]amino]benzamide | 2 - 4-chloro-N-[(E)-[cyclohexyl(phenyl)methylidene]amino]benzamide