Molecule

ID:128136

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₆
Molecular Mass
290.26806
Exact Mass
290.07903817
Charge
0
InChI
InChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2
InChIKey
FSYDWKPCKNCRDI-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2OC(CC(c2c(c1)O)O)c1ccc(c(c1)O)O
Isomeric Smiles
C1C(c2c(cc(cc2OC1c1cc(c(cc1)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
8.959394
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
1.5662558
LogD (pH = 7.4)
1.5545875
Log P
1.5664055
Molar Refractivity
74.1101
Polarizability
28.489586
Polar Surface Area
110.38
Rotatable Bonds
1
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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