(E)-2-oxo-3-quinolin-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-enoic acid
Formula:C20H12NO3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-oxo-3-quinolin-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-enoic acid is a drug-like molecule.
| MolName | (E)-2-oxo-3-quinolin-2-yl-4-[2-(trifluoromethyl)phenyl]but-3-enoic acid |
| MolecularFormula | C20H12NO3F3 |
| Smiles | OC(C(/C(/c1nc2ccccc2cc1)=C/c1c(C(F)(F)F)cccc1)=O)=O |
| InChI | InChI=1S/C20H12F3NO3/c21-20(22,23)15-7-3-1-6-13(15)11-14(18(25)19(26)27)17-10-9-12-5-2-4-8-16(12)24-17/h1-11H,(H,26,27) |
| InChIK | WAWISSQZPGUGIC-UHFFFAOYSA-N |
| TotalMolweight | 371.313 |
| Molweight | 371.313 |
| MonoisotopicMass | 371.076928 |
| CLogP | 3.4304 |
| CLogS | -4.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 262.4 |
| Relative PSA | 0.19112 |
| PolarSurfaceArea | 67.26 |
| Druglikeness | -13.707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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