Molecule

ID:30912

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₃
Molecular Mass
176.16872
Exact Mass
176.04734412
Charge
0
InChI
InChI=1S/C10H8O3/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)
InChIKey
STGSJLZWQHRTGE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)oc(c2)C(=O)O
Isomeric Smiles
c1(oc2c(c1)ccc(c2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.102302
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.14512253
LogD (pH = 7.4)
-1.2377368
Log P
2.2233746
Molar Refractivity
47.074
Polarizability
18.80072
Polar Surface Area
50.44
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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