(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(2-fluorophenyl)methanimine
Formula:C24H25N3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(2-fluorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-4-ium-1-yl)-1-(2-fluorophenyl)methanimine |
| MolecularFormula | C24H25N3F |
| Smiles | Fc1c(/C=N\N(CC2)CC[NH+]2C(c2ccccc2)c2ccccc2)cccc1 |
| InChI | InChI=1S/C24H24FN3/c25-23-14-8-7-13-22(23)19-26-28-17-15-27(16-18-28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2/p+1 |
| InChIK | VPNLYLUYXLCDOF-UHFFFAOYSA-O |
| TotalMolweight | 374.482 |
| Molweight | 374.482 |
| MonoisotopicMass | 374.20325 |
| CLogP | 2.7259 |
| CLogS | -4.23 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 312.57 |
| Relative PSA | 0.10446 |
| PolarSurfaceArea | 20.04 |
| Druglikeness | 2.6684 |
| 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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