(Z)-N-(azepan-1-yl)-1-(3-phenylmethoxyphenyl)methanimine
Formula:C20H24N2O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z)-N-(azepan-1-yl)-1-(3-phenylmethoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(azepan-1-yl)-1-(3-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C20H24N2O |
| Smiles | C(c1ccccc1)Oc1cc(/C=N\N2CCCCCC2)ccc1 |
| InChI | InChI=1S/C20H24N2O/c1-2-7-14-22(13-6-1)21-16-19-11-8-12-20(15-19)23-17-18-9-4-3-5-10-18/h3-5,8-12,15-16H,1-2,6-7,13-14,17H2 |
| InChIK | HDTQMBGLYSPLRW-UHFFFAOYSA-N |
| TotalMolweight | 308.424 |
| Molweight | 308.424 |
| MonoisotopicMass | 308.188863 |
| CLogP | 4.3456 |
| CLogS | -4.331 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.9 |
| Relative PSA | 0.096052 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | -0.5715 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - (Z)-N-(azepan-1-yl)-1-(3-phenylmethoxyphenyl)methanimine | 2 - (Z)-N-(azepan-1-yl)-1-(3-phenylmethoxyphenyl)methanimine
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