Molecule

ID:6656

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey
KOFFXZYMDLWRHX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)C)O
Isomeric Smiles
c1(ccc(c(c1)C(=O)C)O)F
Calculated Properties
JChem
Acid pKa
8.866004
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0198443
LogD (pH = 7.4)
2.0055332
Log P
2.02003
Molar Refractivity
38.6581
Polarizability
14.389571
Polar Surface Area
37.3
Rotatable Bonds
1
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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