3-chloro-N-[(Z)-cyclohexylmethylideneamino]benzamide
Formula:C14H17N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-cyclohexylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-cyclohexylmethylideneamino]benzamide |
| MolecularFormula | C14H17N2OCl |
| Smiles | O=C(c1cccc(Cl)c1)N/N=C\C1CCCCC1 |
| InChI | InChI=1S/C14H17ClN2O/c15-13-8-4-7-12(9-13)14(18)17-16-10-11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,17,18) |
| InChIK | NDXSUUNSIRNQJN-UHFFFAOYSA-N |
| TotalMolweight | 264.755 |
| Molweight | 264.755 |
| MonoisotopicMass | 264.10294 |
| CLogP | 3.397 |
| CLogS | -4.535 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 210.45 |
| Relative PSA | 0.17111 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.44333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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