Molecule

ID:76451

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
InChIKey
PCIITXGDSHXTSN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1coc2c(c1=O)cccc2
Isomeric Smiles
o1cc(c(=O)c2c1cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
5.887721
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1077038
LogD (pH = 7.4)
-0.26455066
Log P
1.2567236
Molar Refractivity
47.3624
Polarizability
18.021719
Polar Surface Area
63.6
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
No Data Available
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Molecule Details
References
Bioactivity
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