(E)-2,3-bis(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
Formula:C15H2O2F10
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2,3-bis(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2,3-bis(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid |
| MolecularFormula | C15H2O2F10 |
| Smiles | OC(C(c(c(F)c(c(F)c1F)F)c1F)=Cc(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C15H2F10O2/c16-5-3(6(17)10(21)13(24)9(5)20)1-2(15(26)27)4-7(18)11(22)14(25)12(23)8(4)19/h1H,(H,26,27) |
| InChIK | STTQOCSPZCEWPC-UHFFFAOYSA-N |
| TotalMolweight | 404.159 |
| Molweight | 404.159 |
| MonoisotopicMass | 403.98951 |
| CLogP | 3.8187 |
| CLogS | -6.096 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 245.33 |
| Relative PSA | 0.10655 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -1.0558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring; polyhalo aromatic ring |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-2,3-bis(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid | 2 - (E)-2,3-bis(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
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