(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Formula:C17H12NO4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C17H12NO4F3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C17H12F3NO4/c18-17(19,20)25-13-5-3-12(4-6-13)21-16(22)8-2-11-1-7-14-15(9-11)24-10-23-14/h1-9H,10H2,(H,21,22) |
| InChIK | HBOJXLONUTUWDW-UHFFFAOYSA-N |
| TotalMolweight | 351.279 |
| Molweight | 351.279 |
| MonoisotopicMass | 351.071843 |
| CLogP | 4.3467 |
| CLogS | -5.232 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.45 |
| Relative PSA | 0.21936 |
| PolarSurfaceArea | 56.79 |
| Druglikeness | -8.4753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
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