Molecule

ID:125471

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
InChIKey
RQNVIKXOOKXAJQ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)c2c1c(O)ccc2O
Isomeric Smiles
O=C1c2c(O)ccc(O)c2C(=O)C=C1
Calculated Properties
JChem
LogD (pH = 7.4)
2.16
LogD (pH = 5.5)
2.19
Log P
2.19
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.54
Polar Surface Area
74.60
Polarizability
17.20
Molar Refractivity
50.15
LOG S
-2.29
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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