(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine
Formula:C24H25N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine |
| MolecularFormula | C24H25N3Cl |
| Smiles | Clc1c(C[NH+](CC2)CCN2/N=C\c(cc2)ccc2-c2ccccc2)cccc1 |
| InChI | InChI=1S/C24H24ClN3/c25-24-9-5-4-8-23(24)19-27-14-16-28(17-15-27)26-18-20-10-12-22(13-11-20)21-6-2-1-3-7-21/h1-13,18H,14-17,19H2/p+1 |
| InChIK | XXQKTNITRKQVQE-UHFFFAOYSA-O |
| TotalMolweight | 390.937 |
| Molweight | 390.937 |
| MonoisotopicMass | 390.173699 |
| CLogP | 3.1745 |
| CLogS | -5.478 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 322.9 |
| Relative PSA | 0.10111 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine | 2 - (Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine
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