Molecule

ID:74705

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c1-7(13)11-5-9-4-8(6-12)2-3-10(9)14-11/h2-6H,1H3
InChIKey
IVPHTFKECPKYNN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)cc(o2)C(=O)C
Isomeric Smiles
o1c2c(cc(cc2)C=O)cc1C(=O)C
Calculated Properties
JChem
Acid pKa
14.208407
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3225203
LogD (pH = 7.4)
1.3225201
Log P
1.3225203
Molar Refractivity
51.7634
Polarizability
20.342398
Polar Surface Area
47.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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