Molecule

ID:16535

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c1-5-9(10(12)13)7-4-6(11)2-3-8(7)14-5/h2-4,11H,1H3,(H,12,13)
InChIKey
PMQFCQKIRJLFAS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(C(=O)O)c(o2)C
Isomeric Smiles
c12c(oc(c1C(=O)O)C)ccc(c2)O
Calculated Properties
JChem
Acid pKa
4.114518
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.2860061
LogD (pH = 7.4)
-1.4077104
Log P
1.6859481
Molar Refractivity
49.2859
Polarizability
19.421473
Polar Surface Area
70.67
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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