(E)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybut-2-en-1-ol
Formula:C10H9NO2ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybut-2-en-1-ol is a drug-like molecule.
| MolName | (E)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybut-2-en-1-ol |
| MolecularFormula | C10H9NO2ClF3 |
| Smiles | OC/C=C/COc(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C10H9ClF3NO2/c11-8-5-7(10(12,13)14)6-15-9(8)17-4-2-1-3-16/h1-2,5-6,16H,3-4H2 |
| InChIK | RMRTZBMWEGBFSV-UHFFFAOYSA-N |
| TotalMolweight | 267.633 |
| Molweight | 267.633 |
| MonoisotopicMass | 267.02739 |
| CLogP | 2.5306 |
| CLogS | -2.983 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 187.27 |
| Relative PSA | 0.18193 |
| PolarSurfaceArea | 42.35 |
| Druglikeness | -8.6787 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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