Molecule

ID:71368

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₈
Molecular Mass
330.2458
Exact Mass
330.03756728
Charge
0
InChI
InChI=1S/C16H10O8/c17-13(18)9-1-7(2-10(5-9)14(19)20)8-3-11(15(21)22)6-12(4-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
QURGMSIQFRADOZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(cc(c1)C(=O)O)c1cc(cc(c1)C(=O)O)C(=O)O
Isomeric Smiles
c1(cc(cc(c1)C(=O)O)C(=O)O)c1cc(cc(c1)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1702428
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-4.2364593
LogD (pH = 7.4)
-10.515331
Log P
2.2508028
Molar Refractivity
80.219
Polarizability
30.714405
Polar Surface Area
149.2
Rotatable Bonds
5
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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