Molecule

ID:37079

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-6-2-7-10-5(4-13-7)1-9(12)14-8(10)3-6/h1-3,11H,4H2
InChIKey
GZZDPSWHUGNQFN-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2OCc3c2c(c1)oc(=O)c3
Isomeric Smiles
c1c(cc2c3c1OCc3cc(=O)o2)O
Calculated Properties
JChem
Acid pKa
7.7779565
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.85705477
LogD (pH = 7.4)
0.7085944
Log P
0.85932356
Molar Refractivity
47.7881
Polarizability
18.14488
Polar Surface Area
55.76
Rotatable Bonds
0
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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