(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine
Formula:C18H22N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine |
| MolecularFormula | C18H22N3 |
| Smiles | C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H21N3/c1-3-7-17(8-4-1)15-19-21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/p+1 |
| InChIK | UOBZLUUOGDBSRF-UHFFFAOYSA-O |
| TotalMolweight | 280.394 |
| Molweight | 280.394 |
| MonoisotopicMass | 280.181372 |
| CLogP | 0.9093 |
| CLogS | -2.656 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 247.72 |
| Relative PSA | 0.1318 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 3.8498 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine | 2 - (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-phenylmethanimine
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