(E)-N-(3-cyano-1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Formula:C19H12N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-cyano-1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-cyano-1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C19H12N3O2F3 |
| Smiles | N#Cc1c[nH]c(cc2)c1cc2NC(/C=C/c(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C19H12F3N3O2/c20-19(21,22)27-15-5-1-12(2-6-15)3-8-18(26)25-14-4-7-17-16(9-14)13(10-23)11-24-17/h1-9,11,24H,(H,25,26) |
| InChIK | URAFMJIWZCHAGC-UHFFFAOYSA-N |
| TotalMolweight | 371.317 |
| Molweight | 371.317 |
| MonoisotopicMass | 371.088161 |
| CLogP | 4.1103 |
| CLogS | -5.819 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 274.07 |
| Relative PSA | 0.2264 |
| PolarSurfaceArea | 77.91 |
| Druglikeness | -12.482 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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