Molecule

ID:129447

General Information
Structure
Molecular Formula
C₂₀H₁₈O₆
Molecular Mass
354.35332
Exact Mass
354.1103383
Charge
0
InChI
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
InChIKey
PEYUIKBAABKQKQ-UHFFFAOYSA-N
Canonic Smiles
C1Oc2c(O1)cc(cc2)C1OCC2C1COC2c1ccc2c(c1)OCO2
Isomeric Smiles
C1C2C(COC2c2cc3c(cc2)OCO3)C(O1)c1cc2c(cc1)OCO2
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.4466996
LogD (pH = 7.4)
2.4466996
Log P
2.4466996
Molar Refractivity
89.7458
Polarizability
35.8571
Polar Surface Area
55.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation