Molecule

ID:12192

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₃
Molecular Mass
184.1643632
Exact Mass
184.05357237
Charge
0
InChI
InChI=1S/C9H9FO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
VURNBRZIFABCRU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)CC(=O)O
Isomeric Smiles
c1c(c(cc(c1)CC(=O)O)F)OC
Calculated Properties
JChem
Acid pKa
3.6241882
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.27599385
LogD (pH = 7.4)
-1.7384202
Log P
1.5960248
Molar Refractivity
44.0452
Polarizability
16.808292
Polar Surface Area
46.53
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
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Molecule Details
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References
Bioactivity
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