Molecule

ID:128134

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₉
Molecular Mass
320.20792
Exact Mass
320.01683184
Charge
0
InChI
InChI=1S/C14H8O9/c15-5-2-4-7(11(19)9(5)17)8-3(13(20)21)1-6(16)10(18)12(8)23-14(4)22/h1-2,15-19H,(H,20,21)
InChIKey
FLZGFQFYDGHWLR-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2c(=O)oc3c(c2c(c1O)O)c(cc(c3O)O)C(=O)O
Isomeric Smiles
c1c2c(c(c(c1O)O)O)c1c(c(c(cc1C(=O)O)O)O)oc2=O
Calculated Properties
JChem
Acid pKa
3.4461687
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-0.34008944
LogD (pH = 7.4)
-2.262022
Log P
1.7150837
Molar Refractivity
74.0998
Polarizability
28.680645
Polar Surface Area
164.75
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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