(E)-3-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]prop-2-enoic acid
Formula:C12H8O3F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]prop-2-enoic acid |
| MolecularFormula | C12H8O3F6 |
| Smiles | OC(/C=C/c(cc1)ccc1OC(C(C(F)(F)F)F)(F)F)=O |
| InChI | InChI=1S/C12H8F6O3/c13-10(11(14,15)16)12(17,18)21-8-4-1-7(2-5-8)3-6-9(19)20/h1-6,10H,(H,19,20)/t10-/m1/s1 |
| InChIK | SBVOFXWCULDIMN-SNVBAGLBSA-N |
| TotalMolweight | 314.181 |
| Molweight | 314.181 |
| MonoisotopicMass | 314.037763 |
| CLogP | 3.1381 |
| CLogS | -4.175 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 205.28 |
| Relative PSA | 0.17605 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -19.512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (E)-3-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]prop-2-enoic acid | 2 - (E)-3-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]prop-2-enoic acid
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