Molecule

ID:59377

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
InChIKey
MJBHLQMPKBMZSF-UHFFFAOYSA-N
Canonic Smiles
COc1cc2oc(=O)cc(c2cc1)O
Isomeric Smiles
c1c(cc2c(c1)c(cc(=O)o2)O)OC
Calculated Properties
JChem
Acid pKa
6.303488
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.808826
LogD (pH = 7.4)
-0.24986537
Log P
0.8721415
Molar Refractivity
49.9041
Polarizability
18.86507
Polar Surface Area
55.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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