Molecule

ID:7807

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3,(H,11,12)
InChIKey
UOCNTRAAJNWDND-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(c2)C(=O)O
Isomeric Smiles
c12c(oc(c1)C(=O)O)c(ccc2)OC
Calculated Properties
JChem
Acid pKa
3.1323822
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.78827196
LogD (pH = 7.4)
-1.9043189
Log P
1.552282
Molar Refractivity
48.496
Polarizability
19.575705
Polar Surface Area
59.67
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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