Molecule
ID:119710
General Information
Molecular Formula
C₁₅H₁₀O₆
Molecular Mass
286.2363
Exact Mass
286.04773804
Charge
0
InChI
InChI=1S/C15H10O6/c16-14(17)8-20-10-3-4-11-12(6-10)21-13(15(11)18)7-9-2-1-5-19-9/h1-7H,8H2,(H,16,17)/b13-7+
InChIKey
CXMMRNHHOKPGNJ-NTUHNPAUSA-N
Canonic Smiles
OC(=O)COc1ccc2c(c1)O/C(=C/c1ccco1)/C2=O
Isomeric Smiles
C\1(=C/c2occc2)/C(=O)c2c(O1)cc(OCC(=O)O)cc2
Calculated Properties
JChem
Acid pKa
2.7419267
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.1080798
LogD (pH = 7.4)
-1.9154905
Log P
1.582833
Molar Refractivity
71.985
Polarizability
27.109512
Polar Surface Area
85.97
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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