Molecule

ID:24747

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c12-10(13)6-8-5-7-3-1-2-4-9(7)15-11(8)14/h1-5H,6H2,(H,12,13)
InChIKey
SHJIXDKRFQBKCZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cc2ccccc2oc1=O
Isomeric Smiles
c1(c(=O)oc2c(c1)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7254214
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.47100872
LogD (pH = 7.4)
-1.9918151
Log P
1.303237
Molar Refractivity
52.1721
Polarizability
19.935207
Polar Surface Area
63.6
Rotatable Bonds
2
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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