(E)-1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine
Formula:C18H18N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine is a drug-like molecule.
| MolName | (E)-1-(1,3-benzodioxol-5-yl)-N-[4-(4-chlorophenyl)piperazin-1-yl]methanimine |
| MolecularFormula | C18H18N3O2Cl |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C/c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H18ClN3O2/c19-15-2-4-16(5-3-15)21-7-9-22(10-8-21)20-12-14-1-6-17-18(11-14)24-13-23-17/h1-6,11-12H,7-10,13H2 |
| InChIK | OPNFKHMOTOXEBB-UHFFFAOYSA-N |
| TotalMolweight | 343.813 |
| Molweight | 343.813 |
| MonoisotopicMass | 343.108754 |
| CLogP | 3.8135 |
| CLogS | -4.625 |
| H Acceptors | 5 |
| TotalSurfaceArea | 255.6 |
| Relative PSA | 0.15106 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 6.1905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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