(Z)-1-(3-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine
Formula:C18H19N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-chlorophenyl)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanimine |
| MolecularFormula | C18H19N3Cl2 |
| Smiles | Clc1cccc(/C=N\N2CCN(Cc(cccc3)c3Cl)CC2)c1 |
| InChI | InChI=1S/C18H19Cl2N3/c19-17-6-3-4-15(12-17)13-21-23-10-8-22(9-11-23)14-16-5-1-2-7-18(16)20/h1-7,12-13H,8-11,14H2 |
| InChIK | JPMDCIVQXOUOON-UHFFFAOYSA-N |
| TotalMolweight | 348.276 |
| Molweight | 348.276 |
| MonoisotopicMass | 347.095601 |
| CLogP | 4.231 |
| CLogS | -4.128 |
| H Acceptors | 3 |
| TotalSurfaceArea | 264.52 |
| Relative PSA | 0.070354 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 7.1365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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