Molecule

ID:97135

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₆O₂
Molecular Mass
284.1545592
Exact Mass
284.02719875
Charge
0
InChI
InChI=1S/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)
InChIKey
IZKCKOPHMWHBHR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1cc(cc(c1)/C=C/C(=O)O)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
3.1231782
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5426732
LogD (pH = 7.4)
0.433775
Log P
3.8917832
Molar Refractivity
55.0073
Polarizability
19.059532
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation