Molecule

ID:69607

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O₄
Molecular Mass
282.76432
Exact Mass
282.13463491
Charge
0
InChI
InChI=1S/C11H22N2O4.ClH/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4;/h12H,5-8H2,1-4H3,(H,13,15);1H
InChIKey
CZTZMHQGYIOSNM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNCCNC(=O)OC(C)(C)C.Cl
Isomeric Smiles
C(=O)(CNCCNC(=O)OC(C)(C)C)OCC.Cl
Calculated Properties
JChem
Acid pKa
15.114466
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.048451927
LogD (pH = 7.4)
0.47361118
Log P
0.48292044
Molar Refractivity
63.1185
Polarizability
25.237968
Polar Surface Area
76.66
Rotatable Bonds
9
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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