Molecule

ID:18797

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c1-6-3-2-4-7-8(12)5-9(11(13)14)15-10(6)7/h2-5H,1H3,(H,13,14)
InChIKey
PGSGLTSKIQNWBG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(=O)c2c(o1)c(C)ccc2
Isomeric Smiles
c1(oc2c(c(=O)c1)cccc2C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4408562
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1484874
LogD (pH = 7.4)
-1.7043083
Log P
1.8105284
Molar Refractivity
53.6346
Polarizability
19.777094
Polar Surface Area
63.6
Rotatable Bonds
1
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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