Molecule

ID:96044

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₂
Molecular Mass
168.1649632
Exact Mass
168.05865775
Charge
0
InChI
InChI=1S/C9H9FO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKey
CGWDABYOHPEOAD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCC1OC1
Isomeric Smiles
O1C(C1)COc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7995431
LogD (pH = 7.4)
1.7995431
Log P
1.7995431
Molar Refractivity
41.4823
Polarizability
16.19672
Polar Surface Area
21.76
Rotatable Bonds
3
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
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References
Bioactivity
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