Molecule

ID:69858

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆O₆
Molecular Mass
294.21524
Exact Mass
294.01643791
Charge
0
InChI
InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H
InChIKey
WKDNYTOXBCRNPV-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)c2c1cc(cc2)c1ccc2c(c1)C(=O)OC2=O
Isomeric Smiles
C1(=O)OC(=O)c2cc(ccc12)c1cc2C(=O)OC(=O)c2cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.519147
LogD (pH = 7.4)
2.519147
Log P
2.519147
Molar Refractivity
73.8082
Polarizability
28.785606
Polar Surface Area
86.74
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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