Molecule

ID:8958

General Information
Structure
Molecular Formula
C₈H₈F₂O
Molecular Mass
158.1453264
Exact Mass
158.05432132
Charge
0
InChI
InChI=1S/C8H8F2O/c1-5-3-4-6(9)8(11-2)7(5)10/h3-4H,1-2H3
InChIKey
ZOVHZEAOMNTVFB-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)ccc(c1F)C
Isomeric Smiles
c1cc(c(c(c1F)OC)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6144
LogD (pH = 7.4)
2.6144
Log P
2.6144
Molar Refractivity
37.9952
Polarizability
14.0443125
Polar Surface Area
9.23
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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