(E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid
Formula:C9H6NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C9H6NO2F3 |
| Smiles | OC(/C=C/c1cnc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C9H6F3NO2/c10-9(11,12)7-3-1-6(5-13-7)2-4-8(14)15/h1-5H,(H,14,15) |
| InChIK | ATQAZNAOJJOPTL-UHFFFAOYSA-N |
| TotalMolweight | 217.146 |
| Molweight | 217.146 |
| MonoisotopicMass | 217.035063 |
| CLogP | 1.3753 |
| CLogS | -2.006 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 152.08 |
| Relative PSA | 0.24402 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | -6.8473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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