Molecule

ID:6706

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKey
GSWTXZXGONEVJC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(c(c1)F)O
Isomeric Smiles
c1(cc(c(cc1)O)F)C(=O)C
Calculated Properties
JChem
Acid pKa
6.7701783
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3475176
LogD (pH = 7.4)
0.6640731
Log P
1.3700299
Molar Refractivity
38.6581
Polarizability
14.38764
Polar Surface Area
37.3
Rotatable Bonds
1
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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