(E)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Formula:C15H12NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C15H12NO3F3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(F)(F)F)NCc1ccco1 |
| InChI | InChI=1S/C15H12F3NO3/c16-15(17,18)22-12-6-3-11(4-7-12)5-8-14(20)19-10-13-2-1-9-21-13/h1-9H,10H2,(H,19,20) |
| InChIK | FHSBJJLWECQUMM-UHFFFAOYSA-N |
| TotalMolweight | 311.258 |
| Molweight | 311.258 |
| MonoisotopicMass | 311.076928 |
| CLogP | 3.1334 |
| CLogS | -4.019 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.64 |
| Relative PSA | 0.20985 |
| PolarSurfaceArea | 51.47 |
| Druglikeness | -7.7576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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