Molecule

ID:129983

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₇
Molecular Mass
330.28886
Exact Mass
330.07395279
Charge
0
InChI
InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3
InChIKey
HRGUSFBJBOKSML-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O
Isomeric Smiles
COc1cc(cc(c1O)OC)c1cc(=O)c2c(cc(cc2o1)O)O
Calculated Properties
JChem
Acid pKa
6.573846
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
2.3563435
LogD (pH = 7.4)
1.4453851
Log P
2.3913467
Molar Refractivity
85.8403
Polarizability
32.199345
Polar Surface Area
105.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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