Molecule

ID:80267

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀O₆
Molecular Mass
356.3692
Exact Mass
356.12598836
Charge
0
InChI
InChI=1S/C20H20O6/c1-23-13-26-15-5-6-16(18(22)12-15)17(21)7-3-14-4-8-19-20(11-14)25-10-2-9-24-19/h3-8,11-12,22H,2,9-10,13H2,1H3
InChIKey
LNFDNKLJNRIIKO-UHFFFAOYSA-N
Canonic Smiles
COCOc1ccc(c(c1)O)C(=O)/C=C/c1ccc2c(c1)OCCCO2
Isomeric Smiles
O1c2c(ccc(c2)/C=C/C(=O)c2ccc(cc2O)OCOC)OCCC1
Calculated Properties
JChem
Acid pKa
8.060569
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
3.7141225
LogD (pH = 7.4)
3.6302125
Log P
3.7153065
Molar Refractivity
96.9969
Polarizability
37.151245
Polar Surface Area
74.22
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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