(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine
Formula:C24H24N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine |
| MolecularFormula | C24H24N3Cl2 |
| Smiles | Clc(ccc(/C=N\N(CC1)CC[NH+]1C(c1ccccc1)c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C24H23Cl2N3/c25-22-12-11-19(17-23(22)26)18-27-29-15-13-28(14-16-29)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,24H,13-16H2/p+1 |
| InChIK | KPWXZWWCKVBZRZ-UHFFFAOYSA-O |
| TotalMolweight | 425.382 |
| Molweight | 425.382 |
| MonoisotopicMass | 424.134726 |
| CLogP | 3.8371 |
| CLogS | -5.388 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 337.06 |
| Relative PSA | 0.096867 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3,4-dichlorophenyl)methanimine
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