Molecule
ID:122783
General Information
Molecular Formula
C₁₈H₂₆N₂O₆
Molecular Mass
366.40884
Exact Mass
366.17908656
Charge
0
InChI
InChI=1S/C18H26N2O6/c1-24-14-5-4-13(17(25-2)18(14)26-3)12-19-8-10-20(11-9-19)15(21)6-7-16(22)23/h4-5H,6-12H2,1-3H3,(H,22,23)
InChIKey
YTUVYIZKUXELSY-UHFFFAOYSA-N
Canonic Smiles
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)CCC(=O)O
Isomeric Smiles
c1(c(c(CN2CCN(C(=O)CCC(=O)O)CC2)ccc1OC)OC)OC
Calculated Properties
JChem
Acid pKa
4.071554
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-1.5900044
LogD (pH = 7.4)
-2.7537212
Log P
-1.5305113
Molar Refractivity
95.2049
Polarizability
37.047546
Polar Surface Area
88.54
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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