Molecule

ID:129682

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₈
Molecular Mass
346.28826
Exact Mass
346.06886741
Charge
0
InChI
InChI=1S/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3
InChIKey
UZMAPBJVXOGOFT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1O)OC)c1oc2cc(O)cc(c2c(=O)c1O)O
Isomeric Smiles
COc1cc(cc(OC)c1O)c1oc2cc(O)cc(O)c2c(=O)c1O
Calculated Properties
JChem
Acid pKa
6.4393873
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
2.0975485
LogD (pH = 7.4)
1.1174939
Log P
2.1445222
Molar Refractivity
87.8077
Polarizability
32.865307
Polar Surface Area
125.68
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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