(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C19H16NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C19H16NOF3 |
| Smiles | O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cc(CCC2)c2cc1 |
| InChI | InChI=1S/C19H16F3NO/c20-19(21,22)16-6-1-3-13(11-16)7-10-18(24)23-17-9-8-14-4-2-5-15(14)12-17/h1,3,6-12H,2,4-5H2,(H,23,24) |
| InChIK | YNDUTJNDSGHENC-UHFFFAOYSA-N |
| TotalMolweight | 331.336 |
| Molweight | 331.336 |
| MonoisotopicMass | 331.118398 |
| CLogP | 4.7994 |
| CLogS | -5.098 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 245.97 |
| Relative PSA | 0.099606 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -10.639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
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