Molecule

ID:128993

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂O₆
Molecular Mass
358.38508
Exact Mass
358.14163842
Charge
0
InChI
InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3
InChIKey
HGXBRUKMWQGOIE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1O)C1OCC2C1COC2c1ccc(c(c1)OC)O
Isomeric Smiles
COc1c(ccc(c1)C1C2COC(C2CO1)c1cc(c(cc1)O)OC)O
Calculated Properties
JChem
Acid pKa
9.609716
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
2.277726
LogD (pH = 7.4)
2.2751017
Log P
2.2777596
Molar Refractivity
95.1002
Polarizability
37.161057
Polar Surface Area
77.38
Rotatable Bonds
4
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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