Molecule

ID:98147

General Information
Structure
Molecular Formula
C₈H₈F₂O
Molecular Mass
158.1453264
Exact Mass
158.05432132
Charge
0
InChI
InChI=1S/C8H8F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3/t5-/m0/s1
InChIKey
WSIJRUFDDILTTN-YFKPBYRVSA-N
Canonic Smiles
C[C@@H](c1ccc(c(c1)F)F)O
Isomeric Smiles
Fc1cc(ccc1F)[C@@H](O)C
Calculated Properties
JChem
Acid pKa
14.638594
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.907875
LogD (pH = 7.4)
1.907875
Log P
1.907875
Molar Refractivity
37.7255
Polarizability
14.052956
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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