Molecule

ID:127682

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₁₀
Molecular Mass
338.2232
Exact Mass
338.02739652
Charge
0
InChI
InChI=1S/C14H10O10/c15-5-1-3(13(21)22)7(11(19)9(5)17)8-4(14(23)24)2-6(16)10(18)12(8)20/h1-2,15-20H,(H,21,22)(H,23,24)
InChIKey
MFTSECOLKFLUSD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(O)c(c(c1c1c(cc(c(c1O)O)O)C(=O)O)O)O
Isomeric Smiles
O=C(O)c1cc(O)c(O)c(O)c1c1c(O)c(O)c(O)cc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.1694005
H Acceptors
10
H Donor
8
LogD (pH = 5.5)
-2.8773308
LogD (pH = 7.4)
-5.6593103
Log P
1.114245
Molar Refractivity
77.592
Polarizability
29.847235
Polar Surface Area
195.98
Rotatable Bonds
2
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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