(E)-3-[2-[3-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
Formula:C16H11O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-[3-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[2-[3-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H11O3F3 |
| Smiles | OC(/C=C/c(cccc1)c1Oc1cccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C16H11F3O3/c17-16(18,19)12-5-3-6-13(10-12)22-14-7-2-1-4-11(14)8-9-15(20)21/h1-10H,(H,20,21) |
| InChIK | IBBJOWCFBWEAEQ-UHFFFAOYSA-N |
| TotalMolweight | 308.254 |
| Molweight | 308.254 |
| MonoisotopicMass | 308.066029 |
| CLogP | 3.7178 |
| CLogS | -5.074 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 223.08 |
| Relative PSA | 0.162 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -7.0188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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