(Z,E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Formula:C20H23N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H23N3Cl |
| Smiles | Clc1ccc(C[NH+](CC2)CCN2/N=C\C=C\c2ccccc2)cc1 |
| InChI | InChI=1S/C20H22ClN3/c21-20-10-8-19(9-11-20)17-23-13-15-24(16-14-23)22-12-4-7-18-5-2-1-3-6-18/h1-12H,13-17H2/p+1 |
| InChIK | QFTORSSAYNMKPR-UHFFFAOYSA-O |
| TotalMolweight | 340.877 |
| Molweight | 340.877 |
| MonoisotopicMass | 340.158049 |
| CLogP | 1.5336 |
| CLogS | -3.684 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.64 |
| Relative PSA | 0.11273 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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