Molecule

ID:9990

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
InChIKey
ATPPNMLQNZHDOG-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1)C(=O)O
Isomeric Smiles
c1(ccccc1)C(F)C(=O)O
Calculated Properties
JChem
Acid pKa
3.715729
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.0033169717
LogD (pH = 7.4)
-1.5121405
Log P
1.7869275
Molar Refractivity
37.0117
Polarizability
14.273872
Polar Surface Area
37.3
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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