Molecule

ID:129333

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₈
Molecular Mass
304.20852
Exact Mass
304.02191722
Charge
0
InChI
InChI=1S/C14H8O8/c15-5-1-3-7(13(21)11(5)19)10(18)4-2-6(16)12(20)14(22)8(4)9(3)17/h1-2,15-16,19-22H
InChIKey
NEIMTOOWBACOHT-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(O)c(c(c2C(=O)c2c1c(O)c(c(c2)O)O)O)O
Isomeric Smiles
c1c2c(c(c(c1O)O)O)C(=O)c1cc(c(c(c1C2=O)O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.21
LogD (pH = 5.5)
2.36
Log P
2.40
Rotatable Bonds
0
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
-8.33
Polar Surface Area
155.52
Polarizability
27.21
Molar Refractivity
73.04
LOG S
-1.93
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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