(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-pyridin-3-ylmethanimine
Formula:C23H25N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-pyridin-3-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-pyridin-3-ylmethanimine |
| MolecularFormula | C23H25N4 |
| Smiles | C(C[NH+](CC1)C(c2ccccc2)c2ccccc2)N1/N=C\c1cccnc1 |
| InChI | InChI=1S/C23H24N4/c1-3-9-21(10-4-1)23(22-11-5-2-6-12-22)26-14-16-27(17-15-26)25-19-20-8-7-13-24-18-20/h1-13,18-19,23H,14-17H2/p+1 |
| InChIK | SJQPACGPLUYNPU-UHFFFAOYSA-O |
| TotalMolweight | 357.48 |
| Molweight | 357.48 |
| MonoisotopicMass | 357.207921 |
| CLogP | 1.6242 |
| CLogS | -3.121 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.98 |
| Relative PSA | 0.14303 |
| PolarSurfaceArea | 32.93 |
| 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 | 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 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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