(Z)-N-(azepan-1-yl)-1-(4-chlorophenyl)methanimine
Formula:C13H17N2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z)-N-(azepan-1-yl)-1-(4-chlorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(azepan-1-yl)-1-(4-chlorophenyl)methanimine |
| MolecularFormula | C13H17N2Cl |
| Smiles | Clc1ccc(/C=N\N2CCCCCC2)cc1 |
| InChI | InChI=1S/C13H17ClN2/c14-13-7-5-12(6-8-13)11-15-16-9-3-1-2-4-10-16/h5-8,11H,1-4,9-10H2 |
| InChIK | VTWKRDLFXDLBMO-UHFFFAOYSA-N |
| TotalMolweight | 236.745 |
| Molweight | 236.745 |
| MonoisotopicMass | 236.108025 |
| CLogP | 3.6035 |
| CLogS | -3.726 |
| H Acceptors | 2 |
| TotalSurfaceArea | 192.8 |
| Relative PSA | 0.078112 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 0.031389 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon |
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