Molecule

ID:129842

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₁₀
Molecular Mass
344.27084
Exact Mass
344.07434671
Charge
0
InChI
InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
InChIKey
LDPLFHGGZNSKDS-FTBFGRRBSA-N
Canonic Smiles
O[C@@H]1C[C@](O)(C[C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)C(=O)O
Isomeric Smiles
O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1
Calculated Properties
JChem
LogD (pH = 7.4)
-4.69
LogD (pH = 5.5)
-3.82
Log P
-1.11
Rotatable Bonds
4
H Donor
7
H Acceptors
9
Lipinski's Rule of Five
false
Acid pKa
2.72
Polar Surface Area
184.98
Polarizability
30.81
Molar Refractivity
75.47
LOG S
-0.94
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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