Molecule

ID:82192

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c1-6(13)12-10(15)8-5-3-2-4-7(8)9(14)11(12)16-12/h2-5,10-11,15H,1H3/t10-,11+,12-/m1/s1
InChIKey
OHSZXHVSCISPPX-GRYCIOLGSA-N
Canonic Smiles
CC(=O)[C@]12O[C@H]1C(=O)c1c([C@H]2O)cccc1
Isomeric Smiles
O1[C@]2([C@@H]1C(=O)c1ccccc1[C@H]2O)C(=O)C
Calculated Properties
JChem
Acid pKa
10.643947
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.61361545
LogD (pH = 7.4)
0.61337113
Log P
0.61361855
Molar Refractivity
54.5533
Polarizability
21.397104
Polar Surface Area
66.9
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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