Molecule

ID:127293

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₆
Molecular Mass
314.28946
Exact Mass
314.07903817
Charge
0
InChI
InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3
InChIKey
RJCJVIFSIXKSAH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC)O
Isomeric Smiles
COc1ccc(cc1)c1c(c(=O)c2c(cc(cc2o1)O)O)OC
Calculated Properties
JChem
Acid pKa
6.380971
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
2.6651802
LogD (pH = 7.4)
1.5984557
Log P
2.7185862
Molar Refractivity
84.1148
Polarizability
31.561329
Polar Surface Area
85.22
Rotatable Bonds
3
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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