Molecule

ID:98347

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈F₂O
Molecular Mass
206.1881264
Exact Mass
206.05432132
Charge
0
InChI
InChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H
InChIKey
ASOVDRYKVVVCIA-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1ccc(cc1F)F
Isomeric Smiles
Fc1cc(ccc1c1ccc(cc1)O)F
Calculated Properties
JChem
Acid pKa
9.683706
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6022816
LogD (pH = 7.4)
3.6000695
Log P
3.6023097
Molar Refractivity
53.6079
Polarizability
21.178085
Polar Surface Area
20.23
Rotatable Bonds
1
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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