(E)-1-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Formula:C18H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(6-chloropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C18H18N3OCl |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1)CCN1c1cccc(Cl)n1 |
| InChI | InChI=1S/C18H18ClN3O/c19-16-7-4-8-17(20-16)21-11-13-22(14-12-21)18(23)10-9-15-5-2-1-3-6-15/h1-10H,11-14H2 |
| InChIK | YNTFCSYNOLTOOA-UHFFFAOYSA-N |
| TotalMolweight | 327.814 |
| Molweight | 327.814 |
| MonoisotopicMass | 327.113839 |
| CLogP | 3.3216 |
| CLogS | -3.272 |
| H Acceptors | 4 |
| TotalSurfaceArea | 253.59 |
| Relative PSA | 0.12268 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | 5.51 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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