Molecule

ID:16293

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H7FO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChIKey
UPWMPIKNUXTWFP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)C(=O)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)OC)F)O
Calculated Properties
JChem
Acid pKa
3.6160514
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2640118
LogD (pH = 7.4)
-1.7215112
Log P
1.6158594
Molar Refractivity
39.9938
Polarizability
14.972218
Polar Surface Area
46.53
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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