Molecule

ID:113039

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₉NO₆
Molecular Mass
379.44736
Exact Mass
379.19948765
Charge
0
InChI
InChI=1S/C20H29NO6/c1-20(2,3)27-19(23)21-10-8-14(9-11-21)13-26-16-7-6-15(18(22)25-5)12-17(16)24-4/h6-7,12,14H,8-11,13H2,1-5H3
InChIKey
CZTOAMQPCWWWOE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC)OCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(COc2c(cc(C(=O)OC)cc2)OC)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0489323
LogD (pH = 7.4)
3.0489323
Log P
3.0489323
Molar Refractivity
100.9792
Polarizability
39.41636
Polar Surface Area
74.3
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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