Molecule

ID:96844

General Information
Structure
Molecular Formula
C₈H₈F₂O₂
Molecular Mass
174.1447264
Exact Mass
174.04923594
Charge
0
InChI
InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKey
HSIDWXYUJAUALR-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)OC(F)F
Isomeric Smiles
O(c1ccc(cc1)CO)C(F)F
Calculated Properties
JChem
Acid pKa
14.996535
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.974983
LogD (pH = 7.4)
1.974983
Log P
1.974983
Molar Refractivity
39.346
Polarizability
14.872661
Polar Surface Area
29.46
Rotatable Bonds
3
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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