Molecule

ID:35498

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3
InChIKey
WIRGBZBGYNIZIB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(O)cc(=O)o2
Isomeric Smiles
c1c(c2c(oc1=O)ccc(c2)C)O
Calculated Properties
JChem
Acid pKa
6.3900285
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4906936
LogD (pH = 7.4)
0.49929872
Log P
1.5432341
Molar Refractivity
48.4821
Polarizability
18.082506
Polar Surface Area
46.53
Rotatable Bonds
0
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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