(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenylmethanimine
Formula:C24H26N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-phenylmethanimine |
| MolecularFormula | C24H26N3 |
| Smiles | C(C[NH+](CC1)C(c2ccccc2)c2ccccc2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H25N3/c1-4-10-21(11-5-1)20-25-27-18-16-26(17-19-27)24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,24H,16-19H2/p+1 |
| InChIK | METHVDVPWHMQJV-UHFFFAOYSA-O |
| TotalMolweight | 356.491 |
| Molweight | 356.491 |
| MonoisotopicMass | 356.212672 |
| CLogP | 2.6251 |
| CLogS | -3.916 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 306.22 |
| Relative PSA | 0.10662 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 4.0084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 12 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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