Molecule

ID:37734

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₆
Molecular Mass
352.38226
Exact Mass
352.1634365
Charge
0
InChI
InChI=1S/C17H24N2O6/c1-23-13-9-12(10-14(24-2)16(13)25-3)18-17(22)19-6-4-11(5-7-19)8-15(20)21/h9-11H,4-8H2,1-3H3,(H,18,22)(H,20,21)
InChIKey
GLESGQAYNPXJJZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(NC(=O)N2CCC(CC2)CC(=O)O)cc(c1OC)OC
Isomeric Smiles
C1N(CCC(C1)CC(=O)O)C(=O)Nc1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
Acid pKa
4.086476
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.31319472
LogD (pH = 7.4)
-1.9939309
Log P
1.1134611
Molar Refractivity
91.7377
Polarizability
34.837654
Polar Surface Area
97.33
Rotatable Bonds
6
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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