(E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one
Formula:C19H18N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C19H18N3OF3 |
| Smiles | O=C(/C=C/c1ccccc1)N(CC1)CCN1c1c(C(F)(F)F)cccn1 |
| InChI | InChI=1S/C19H18F3N3O/c20-19(21,22)16-7-4-10-23-18(16)25-13-11-24(12-14-25)17(26)9-8-15-5-2-1-3-6-15/h1-10H,11-14H2 |
| InChIK | KJGFAMOXNKPYLS-UHFFFAOYSA-N |
| TotalMolweight | 361.366 |
| Molweight | 361.366 |
| MonoisotopicMass | 361.140196 |
| CLogP | 3.4665 |
| CLogS | -3.551 |
| H Acceptors | 4 |
| TotalSurfaceArea | 267.63 |
| Relative PSA | 0.11624 |
| PolarSurfaceArea | 36.44 |
| Druglikeness | -1.6852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off