N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]cyclohexanecarboxamide
Formula:C21H23N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]cyclohexanecarboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]cyclohexanecarboxamide |
| MolecularFormula | C21H23N2O2Cl |
| Smiles | O=C(C1CCCCC1)N/N=C\c1cccc(OCc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C21H23ClN2O2/c22-19-11-9-16(10-12-19)15-26-20-8-4-5-17(13-20)14-23-24-21(25)18-6-2-1-3-7-18/h4-5,8-14,18H,1-3,6-7,15H2,(H,24,25) |
| InChIK | CSYDJKBGQRZINO-UHFFFAOYSA-N |
| TotalMolweight | 370.879 |
| Molweight | 370.879 |
| MonoisotopicMass | 370.144805 |
| CLogP | 5.056 |
| CLogS | -5.954 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.97 |
| Relative PSA | 0.15651 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -0.12304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| StereoCon |
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