Molecule

ID:44869

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₆
Molecular Mass
366.40884
Exact Mass
366.17908656
Charge
0
InChI
InChI=1S/C18H26N2O6/c1-18(2,3)26-17(22)20-9-12(13(10-20)16(21)25-6)11-7-14(23-4)15(24-5)19-8-11/h7-8,12-13H,9-10H2,1-6H3/t12-,13+/m0/s1
InChIKey
LDYJACAOCQSCIC-QWHCGFSZSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@H]1c1cnc(c(c1)OC)OC)C(=O)OC(C)(C)C
Isomeric Smiles
c1(c(ncc(c1)[C@H]1[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.5804017
LogD (pH = 7.4)
1.5808715
Log P
1.5808774
Molar Refractivity
93.7341
Polarizability
36.753643
Polar Surface Area
87.19
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
References
Bioactivity
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