Molecule
ID:77797
General Information
Molecular Formula
C₁₀H₈O₅
Molecular Mass
208.16752
Exact Mass
208.03717336
Charge
0
InChI
InChI=1S/C10H8O5/c11-6-2-1-4-5(10(14)15)3-7(12)9(13)8(4)6/h3,12-13H,1-2H2,(H,14,15)
InChIKey
SVQPYDSJBWIOJK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(O)c(c2c1CCC2=O)O
Isomeric Smiles
O=C1c2c(c(cc(c2O)O)C(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.846384
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.12063756
LogD (pH = 7.4)
-1.7229408
Log P
1.5370083
Molar Refractivity
50.9437
Polarizability
18.851458
Polar Surface Area
94.83
Rotatable Bonds
1
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
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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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