Molecule

ID:126467

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆O₈
Molecular Mass
360.31484
Exact Mass
360.08451747
Charge
0
InChI
InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
InChIKey
BZXULYMZYPRZOG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1O)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC
Isomeric Smiles
O=c1c2c(O)c(OC)c(O)cc2oc(c1OC)c1ccc(OC)c(O)c1
Calculated Properties
JChem
Acid pKa
6.965578
H Acceptors
8
H Donor
3
LogD (pH = 5.5)
2.242852
LogD (pH = 7.4)
1.6920271
Log P
2.2573497
Molar Refractivity
92.5589
Polarizability
34.76042
Polar Surface Area
114.68
Rotatable Bonds
4
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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