Molecule

ID:96987

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO₂
Molecular Mass
156.1542632
Exact Mass
156.05865775
Charge
0
InChI
InChI=1S/C8H9FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKey
FZEDGSMVRLKUOQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CO)ccc1F
Isomeric Smiles
Fc1c(cc(cc1)CO)OC
Calculated Properties
JChem
Acid pKa
14.89388
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1909267
LogD (pH = 7.4)
1.1909267
Log P
1.1909267
Molar Refractivity
39.5535
Polarizability
15.006475
Polar Surface Area
29.46
Rotatable Bonds
2
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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