Molecule

ID:22317

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO₂
Molecular Mass
156.1542632
Exact Mass
156.05865775
Charge
0
InChI
InChI=1S/C8H9FO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChIKey
QLJNEPOEZGFNEA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OC)F
Isomeric Smiles
c1c(cc(c(c1)F)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8006052
LogD (pH = 7.4)
1.8006052
Log P
1.8006052
Molar Refractivity
39.2008
Polarizability
15.065574
Polar Surface Area
18.46
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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