Molecule

ID:11971

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₇O₂
Molecular Mass
240.0756424
Exact Mass
240.00212688
Charge
0
InChI
InChI=1S/C6H3F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H,(H,14,15)/b2-1+
InChIKey
KRBNWYYINLFKND-OWOJBTEDSA-N
Canonic Smiles
OC(=O)/C=C/C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(/C=C/C(=O)O)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
2.7586758
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.008716845
LogD (pH = 7.4)
-0.81184864
Log P
2.6852949
Molar Refractivity
33.2334
Polarizability
12.01064
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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