Molecule

ID:68767

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H7FO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
UUQDNAPKWPKHMK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)F)OC)O
Calculated Properties
JChem
Acid pKa
3.8692324
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.019504597
LogD (pH = 7.4)
-1.6133558
Log P
1.6158594
Molar Refractivity
39.9938
Polarizability
14.972909
Polar Surface Area
46.53
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
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References
Bioactivity
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