Molecule

ID:37780

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₅
Molecular Mass
336.38286
Exact Mass
336.16852188
Charge
0
InChI
InChI=1S/C17H24N2O5/c1-4-24-17(23)15-10(2)14(11(3)18-15)16(22)19-7-5-12(6-8-19)9-13(20)21/h12,18H,4-9H2,1-3H3,(H,20,21)
InChIKey
PSSFUZHPMXENQG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c(c(c1C)C(=O)N1CCC(CC1)CC(=O)O)C
Isomeric Smiles
[nH]1c(c(c(c1C(=O)OCC)C)C(=O)N1CCC(CC1)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.8516016
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.046322256
LogD (pH = 7.4)
-1.631907
Log P
1.6061032
Molar Refractivity
89.4879
Polarizability
33.44008
Polar Surface Area
99.7
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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