(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-chlorophenyl)methanimine
Formula:C24H25N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-chlorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(3-chlorophenyl)methanimine |
| MolecularFormula | C24H25N3Cl |
| Smiles | Clc1cc(/C=N\N(CC2)CC[NH+]2C(c2ccccc2)c2ccccc2)ccc1 |
| InChI | InChI=1S/C24H24ClN3/c25-23-13-7-8-20(18-23)19-26-28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2/p+1 |
| InChIK | URCVMOMVYOGAMN-UHFFFAOYSA-O |
| TotalMolweight | 390.937 |
| Molweight | 390.937 |
| MonoisotopicMass | 390.173699 |
| CLogP | 3.2311 |
| CLogS | -4.652 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 321.64 |
| Relative PSA | 0.10151 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| 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 | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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