Molecule

ID:73348

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3
InChIKey
CSPIFKKOBWYOEX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc2ccccc2oc1=O
Isomeric Smiles
o1c2c(cccc2)cc(c1=O)C(=O)C
Calculated Properties
JChem
Acid pKa
18.376266
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7002282
LogD (pH = 7.4)
1.7002282
Log P
1.7002282
Molar Refractivity
51.174
Polarizability
19.45788
Polar Surface Area
43.37
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
References
Bioactivity
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