Molecule

ID:7356

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(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChIKey
LWGCZCMLPRMKIZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1F)C(=O)O
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)OC)F
Calculated Properties
JChem
Acid pKa
4.0000453
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.10642129
LogD (pH = 7.4)
-1.5431845
Log P
1.6158594
Molar Refractivity
39.9938
Polarizability
14.971148
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
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Molecule Details
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References
Bioactivity
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