(2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-phenyl-3-piperidin-1-ylpropan-1-one
Formula:C20H21N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-phenyl-3-piperidin-1-ylpropan-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-1-phenyl-3-piperidin-1-ylpropan-1-one |
| MolecularFormula | C20H21N3OCl2 |
| Smiles | O=C(/C(/CN1CCCCC1)=N\Nc(ccc(Cl)c1)c1Cl)c1ccccc1 |
| InChI | InChI=1S/C20H21Cl2N3O/c21-16-9-10-18(17(22)13-16)23-24-19(14-25-11-5-2-6-12-25)20(26)15-7-3-1-4-8-15/h1,3-4,7-10,13,23H,2,5-6,11-12,14H2 |
| InChIK | LFCVVBPCFPBODW-UHFFFAOYSA-N |
| TotalMolweight | 390.313 |
| Molweight | 390.313 |
| MonoisotopicMass | 389.106166 |
| CLogP | 5.8187 |
| CLogS | -4.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.4 |
| Relative PSA | 0.13392 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 3.6271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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