Molecule

ID:93797

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₃
Molecular Mass
170.1377832
Exact Mass
170.0379223
Charge
0
InChI
InChI=1S/C8H5FO2.H2O/c9-7-4-2-1-3-6(7)8(11)5-10;/h1-5H;1H2
InChIKey
SRFHVRGKWSAPSD-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1ccccc1F.O
Isomeric Smiles
O=C(c1c(cccc1)F)C=O.O
Calculated Properties
JChem
Acid pKa
13.508845
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.763266
LogD (pH = 7.4)
1.7632657
Log P
1.763266
Molar Refractivity
37.5335
Polarizability
13.864348
Polar Surface Area
34.14
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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