Molecule

ID:99332

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O₃
Molecular Mass
258.0909224
Exact Mass
258.01269156
Charge
0
InChI
InChI=1S/C6H5F7O3/c7-4(5(8,9)10,2-1-3(14)15)16-6(11,12)13/h1-2H2,(H,14,15)
InChIKey
RNKVRXPFNPPBHP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(F)(F)F)(OC(F)(F)F)F
Isomeric Smiles
OC(=O)CCC(OC(F)(F)F)(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
2.6282384
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2877901
LogD (pH = 7.4)
-0.43150285
Log P
3.0737982
Molar Refractivity
30.4757
Polarizability
13.107414
Polar Surface Area
46.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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