Molecule

ID:68685

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c12-8-4-5-9-7(6-8)2-1-3-10(9)11(13)14/h1-6,12H,(H,13,14)
InChIKey
JCJUKCIXTRWAQY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)cccc2C(=O)O
Isomeric Smiles
c1(cccc2cc(ccc12)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.657133
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.47650528
LogD (pH = 7.4)
-1.0072842
Log P
2.3167403
Molar Refractivity
51.7453
Polarizability
20.760689
Polar Surface Area
57.53
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
No Data Available
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Molecule Details
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References
Bioactivity
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