(E)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
Formula:C14H9O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid |
| MolecularFormula | C14H9O3F3 |
| Smiles | OC(/C=C/c1ccc(-c2c(C(F)(F)F)cccc2)o1)=O |
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)11-4-2-1-3-10(11)12-7-5-9(20-12)6-8-13(18)19/h1-8H,(H,18,19) |
| InChIK | WWHMEYXWUKCAKU-UHFFFAOYSA-N |
| TotalMolweight | 282.216 |
| Molweight | 282.216 |
| MonoisotopicMass | 282.050379 |
| CLogP | 3.2611 |
| CLogS | -4.237 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 202.77 |
| Relative PSA | 0.1985 |
| PolarSurfaceArea | 50.44 |
| Druglikeness | -5.3821 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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