Molecule

ID:97980

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂O
Molecular Mass
158.1453264
Exact Mass
158.05432132
Charge
0
InChI
InChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChIKey
SIYWDKQSSDBLOA-UHFFFAOYSA-N
Canonic Smiles
CC(c1c(F)cccc1F)O
Isomeric Smiles
Fc1c(c(ccc1)F)C(C)O
Calculated Properties
JChem
Acid pKa
14.011849
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.907875
LogD (pH = 7.4)
1.9078748
Log P
1.907875
Molar Refractivity
37.7255
Polarizability
14.054598
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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