Molecule

ID:97172

General Information
Structure
Molecular Formula
C₈H₈F₂O₂
Molecular Mass
174.1447264
Exact Mass
174.04923594
Charge
0
InChI
InChI=1S/C8H8F2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey
QNQUBUBFPGHXAL-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)c(cc1F)OC
Isomeric Smiles
Fc1c(cc(c(c1)OC)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9433072
LogD (pH = 7.4)
1.9433072
Log P
1.9433072
Molar Refractivity
39.4172
Polarizability
14.868007
Polar Surface Area
18.46
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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