Molecule

ID:96883

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O₂
Molecular Mass
160.1181464
Exact Mass
160.03358587
Charge
0
InChI
InChI=1S/C7H6F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7,10H
InChIKey
BNHAYQSUBZKWAG-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)O)F
Isomeric Smiles
O(c1ccc(cc1)O)C(F)F
Calculated Properties
JChem
Acid pKa
9.726595
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.438742
LogD (pH = 7.4)
2.4367363
Log P
2.4387674
Molar Refractivity
34.511
Polarizability
13.064938
Polar Surface Area
29.46
Rotatable Bonds
2
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
References
Bioactivity
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