(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine
Formula:C24H23N3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(2-chloro-6-fluorophenyl)methanimine |
| MolecularFormula | C24H23N3ClF |
| Smiles | Fc1cccc(Cl)c1/C=N\N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C24H23ClFN3/c25-22-12-7-13-23(26)21(22)18-27-29-16-14-28(15-17-29)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,24H,14-17H2 |
| InChIK | DKYRTLQDJYXKDL-UHFFFAOYSA-N |
| TotalMolweight | 407.919 |
| Molweight | 407.919 |
| MonoisotopicMass | 407.156452 |
| CLogP | 5.4416 |
| CLogS | -4.966 |
| H Acceptors | 3 |
| TotalSurfaceArea | 313.95 |
| Relative PSA | 0.059277 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 5.5794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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