(Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-1-ylmethanimine
Formula:C21H20N3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-1-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-naphthalen-1-ylmethanimine |
| MolecularFormula | C21H20N3Cl |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H20ClN3/c22-19-8-10-20(11-9-19)24-12-14-25(15-13-24)23-16-18-6-3-5-17-4-1-2-7-21(17)18/h1-11,16H,12-15H2 |
| InChIK | UUVMUEFUTNKDEB-UHFFFAOYSA-N |
| TotalMolweight | 349.864 |
| Molweight | 349.864 |
| MonoisotopicMass | 349.134574 |
| CLogP | 4.8965 |
| CLogS | -5.52 |
| H Acceptors | 3 |
| TotalSurfaceArea | 269.94 |
| Relative PSA | 0.068941 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 6.6683 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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