Molecule

ID:55154

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN₃O₃
Molecular Mass
279.76368
Exact Mass
279.13496926
Charge
0
InChI
InChI=1S/C11H21N3O3.ClH/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12;/h4-8,12H2,1-3H3;1H
InChIKey
WMXGPYSLNPZGCD-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C.Cl
Isomeric Smiles
C1N(CCN(C1)C(=O)CN)C(=O)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2476945
LogD (pH = 7.4)
-1.5636052
Log P
-0.7598013
Molar Refractivity
63.3695
Polarizability
24.94813
Polar Surface Area
75.87
Rotatable Bonds
3
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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