Molecule

ID:97827

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂O
Molecular Mass
158.1453264
Exact Mass
158.05432132
Charge
0
InChI
InChI=1S/C8H8F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
InChIKey
OSSWCETZVZILJJ-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)C(F)F
Isomeric Smiles
OCc1cc(ccc1)C(F)F
Calculated Properties
JChem
Acid pKa
14.941972
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.594984
LogD (pH = 7.4)
1.594984
Log P
1.594984
Molar Refractivity
37.9579
Polarizability
14.105004
Polar Surface Area
20.23
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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