(E,E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
Formula:C19H20N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E,E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (E,E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C19H20N3Cl |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C19H20ClN3/c20-18-8-10-19(11-9-18)22-13-15-23(16-14-22)21-12-4-7-17-5-2-1-3-6-17/h1-12H,13-16H2 |
| InChIK | RZNXTOSMGNXEAS-UHFFFAOYSA-N |
| TotalMolweight | 325.842 |
| Molweight | 325.842 |
| MonoisotopicMass | 325.134574 |
| CLogP | 3.7204 |
| CLogS | -4.206 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.84 |
| Relative PSA | 0.071074 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.5056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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