Molecule

ID:15507

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₃
Molecular Mass
164.15802
Exact Mass
164.04734412
Charge
0
InChI
InChI=1S/C9H8O3/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-6H,1H3
InChIKey
FOEJETVWOFOEDE-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1ccccc1OC
Isomeric Smiles
c1ccc(c(c1)C(=O)C=O)OC
Calculated Properties
JChem
Acid pKa
13.852946
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4628928
LogD (pH = 7.4)
1.4628927
Log P
1.4628928
Molar Refractivity
43.7803
Polarizability
16.66598
Polar Surface Area
43.37
Rotatable Bonds
3
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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