(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H15N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H15N2O2F3 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H15F3N2O2/c17-16(18,19)13-5-3-11(4-6-13)8-12(9-20)15(22)21-10-14-2-1-7-23-14/h3-6,8,14H,1-2,7,10H2,(H,21,22)/t14-/m1/s1 |
| InChIK | GCEHAGRESJNFQR-CQSZACIVSA-N |
| TotalMolweight | 324.301 |
| Molweight | 324.301 |
| MonoisotopicMass | 324.108562 |
| CLogP | 2.4277 |
| CLogS | -3.726 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.39 |
| Relative PSA | 0.19828 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -9.7678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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