(E)-1-(3-chlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C17H18N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-chlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(3-chlorophenyl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C17H18N3Cl |
| Smiles | Clc1cc(/C=N/N(CC2)CCN2c2ccccc2)ccc1 |
| InChI | InChI=1S/C17H18ClN3/c18-16-6-4-5-15(13-16)14-19-21-11-9-20(10-12-21)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2 |
| InChIK | VWYYNSGOUFMOSN-UHFFFAOYSA-N |
| TotalMolweight | 299.804 |
| Molweight | 299.804 |
| MonoisotopicMass | 299.118924 |
| CLogP | 3.7021 |
| CLogS | -3.914 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.34 |
| Relative PSA | 0.079077 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.6683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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