(E)-3-(3-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
Formula:C18H18N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-fluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one |
| MolecularFormula | C18H18N3OF |
| Smiles | O=C(/C=C/c1cccc(F)c1)N(CC1)CCN1c1ncccc1 |
| InChI | InChI=1S/C18H18FN3O/c19-16-5-3-4-15(14-16)7-8-18(23)22-12-10-21(11-13-22)17-6-1-2-9-20-17/h1-9,14H,10-13H2 |
| InChIK | WRFVWNMHCJCSCM-UHFFFAOYSA-N |
| TotalMolweight | 311.359 |
| Molweight | 311.359 |
| MonoisotopicMass | 311.14339 |
| CLogP | 2.719 |
| CLogS | -3.087 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.52 |
| Relative PSA | 0.12723 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | 4.1648 |
| 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 | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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