(E)-3-(1H-indol-3-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
Formula:C20H17N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide |
| MolecularFormula | C20H17N2OF3 |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)NCCc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C20H17F3N2O/c21-20(22,23)16-5-3-4-14(12-16)10-11-24-19(26)9-8-15-13-25-18-7-2-1-6-17(15)18/h1-9,12-13,25H,10-11H2,(H,24,26) |
| InChIK | TWASSMFMYJFHIZ-UHFFFAOYSA-N |
| TotalMolweight | 358.362 |
| Molweight | 358.362 |
| MonoisotopicMass | 358.129297 |
| CLogP | 4.1635 |
| CLogS | -4.729 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 269.88 |
| Relative PSA | 0.14262 |
| PolarSurfaceArea | 44.89 |
| Druglikeness | -6.6123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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