Molecule

ID:12628

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₅
Molecular Mass
208.16752
Exact Mass
208.03717336
Charge
0
InChI
InChI=1S/C10H8O5/c1-15-10(14)6-2-7(4-11)9(13)8(3-6)5-12/h2-5,13H,1H3
InChIKey
JNBXUZUEBXPEMC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C=O)c(c(c1)C=O)O
Isomeric Smiles
c1c(c(c(cc1C(=O)OC)C=O)O)C=O
Calculated Properties
JChem
Acid pKa
6.4245186
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3498635
LogD (pH = 7.4)
1.4188086
Log P
2.3981621
Molar Refractivity
53.2322
Polarizability
19.252863
Polar Surface Area
80.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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