(Z,Z)-2-chloro-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
Formula:C20H22N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,Z)-2-chloro-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-chloro-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H22N3Cl2 |
| Smiles | Cl/C(/C=N\N1CC[NH+](Cc(cc2)ccc2Cl)CC1)=C\c1ccccc1 |
| InChI | InChI=1S/C20H21Cl2N3/c21-19-8-6-18(7-9-19)16-24-10-12-25(13-11-24)23-15-20(22)14-17-4-2-1-3-5-17/h1-9,14-15H,10-13,16H2/p+1 |
| InChIK | BDPSNXCQQWFUHW-UHFFFAOYSA-O |
| TotalMolweight | 375.322 |
| Molweight | 375.322 |
| MonoisotopicMass | 374.119076 |
| CLogP | 1.9952 |
| CLogS | -4.375 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 303.27 |
| Relative PSA | 0.10766 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.9949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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1 - (Z,Z)-2-chloro-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine | 2 - (Z,Z)-2-chloro-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
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