Molecule

ID:99339

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₇O₂
Molecular Mass
240.0756424
Exact Mass
240.00212688
Charge
0
InChI
InChI=1S/C6H3F7O2/c7-4(5(8,9)10,6(11,12)13)2-1-3(14)15/h1-2H,(H,14,15)
InChIKey
PRHNILJSRYVRAY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/C(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(C(C(F)(F)F)(F)/C=C/C(=O)O)F
Calculated Properties
JChem
Acid pKa
2.7344005
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2736966
LogD (pH = 7.4)
-1.075209
Log P
2.4236312
Molar Refractivity
33.5075
Polarizability
12.013437
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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