Molecule

ID:50681

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₅
Molecular Mass
326.38804
Exact Mass
326.18417194
Charge
0
InChI
InChI=1S/C16H26N2O5/c1-6-22-14(20)13-11-9-18(15(21)23-16(2,3)4)8-10(17(11)5)7-12(13)19/h10-11,13H,6-9H2,1-5H3
InChIKey
DDQLSUNZALBDML-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C(=O)CC2N(C1CN(C2)C(=O)OC(C)(C)C)C
Isomeric Smiles
C12C(C(=O)CC(N1C)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.924164
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2077903
LogD (pH = 7.4)
1.5051314
Log P
1.2773125
Molar Refractivity
83.3638
Polarizability
33.082985
Polar Surface Area
76.15
Rotatable Bonds
5
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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