Molecule

ID:32976

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)20-9-11(12(10-20)16(21)25-6)13-7-8-14(23-4)15(19-13)24-5/h7-8,11-12H,9-10H2,1-6H3/t11-,12-/m1/s1
InChIKey
IKYAMTBOXQERHO-VXGBXAGGSA-N
Canonic Smiles
COC(=O)[C@@H]1CN(C[C@H]1c1ccc(c(n1)OC)OC)C(=O)OC(C)(C)C
Isomeric Smiles
c1(c(nc(cc1)[C@@H]1CN(C[C@H]1C(=O)OC)C(=O)OC(C)(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7885394
LogD (pH = 7.4)
1.7887121
Log P
1.7887143
Molar Refractivity
93.2592
Polarizability
36.75419
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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