Molecule

ID:93151

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
WPXFJBPJUGMYOD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(=O)O)F
Isomeric Smiles
OC(=O)c1c(ccc(c1)F)OC
Calculated Properties
JChem
Acid pKa
3.3704064
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.49998602
LogD (pH = 7.4)
-1.7943481
Log P
1.6158594
Molar Refractivity
39.9938
Polarizability
14.973451
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
References
Bioactivity
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