Molecule

ID:6707

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
InChIKey
ZCZIRBNZMFUCOH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)F)C(=O)C
Isomeric Smiles
c1c(cc(c(c1)C(=O)C)F)O
Calculated Properties
JChem
Acid pKa
6.978954
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3559519
LogD (pH = 7.4)
0.8174743
Log P
1.3700299
Molar Refractivity
38.6581
Polarizability
14.388659
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
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Molecule Details
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References
Bioactivity
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