Molecule
ID:67105
General Information
Molecular Formula
C₇H₆F₂O₂
Molecular Mass
160.1181464
Exact Mass
160.03358587
Charge
0
InChI
InChI=1S/C7H6F2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,10-11H,3H2
InChIKey
RQMJWCOEDWMJLS-UHFFFAOYSA-N
Canonic Smiles
OCc1c(F)cc(cc1F)O
Isomeric Smiles
C(c1c(cc(cc1F)O)F)O
Calculated Properties
JChem
Acid pKa
7.5566115
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1839665
LogD (pH = 7.4)
0.96016455
Log P
1.1877346
Molar Refractivity
35.2876
Polarizability
12.950361
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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