Molecule

ID:116551

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₅
Molecular Mass
357.40032
Exact Mass
357.15762284
Charge
0
InChI
InChI=1S/C20H23NO5/c1-23-18-10-13-8-9-21-16(15(13)11-19(18)24-2)12-26-17-7-5-4-6-14(17)20(22)25-3/h4-7,10-11,16,21H,8-9,12H2,1-3H3
InChIKey
LIELFRFSVGCDIH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1OCC1NCCc2c1cc(OC)c(c2)OC
Isomeric Smiles
c1(C(=O)OC)c(OCC2c3cc(c(cc3CCN2)OC)OC)cccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.10499242
LogD (pH = 7.4)
1.7505323
Log P
2.9634342
Molar Refractivity
97.7897
Polarizability
38.144215
Polar Surface Area
66.02
Rotatable Bonds
7
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
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References
Bioactivity
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