Molecule

ID:111705

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₆
Molecular Mass
210.14034
Exact Mass
210.01643791
Charge
0
InChI
InChI=1S/C9H6O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-5H,1H2
InChIKey
NLWBEORDOPDUPM-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C2C1CC1C2C(=O)OC1=O
Isomeric Smiles
O=C1OC(=O)C2C1CC1C2C(=O)OC1=O
Calculated Properties
JChem
Acid pKa
15.503867
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.38450128
LogD (pH = 7.4)
-0.38450128
Log P
-0.6178346
Molar Refractivity
41.5538
Polarizability
17.1363
Polar Surface Area
86.74
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
No Data Available
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Molecule Details
References
Bioactivity
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