Molecule

ID:44344

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O₃
Molecular Mass
243.30274
Exact Mass
243.15829155
Charge
0
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-8(5-7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKey
JLIKTOWFNQDEME-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(C(=O)NN)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.898517
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.057492524
LogD (pH = 7.4)
0.059973907
Log P
0.060006924
Molar Refractivity
64.3767
Polarizability
24.852577
Polar Surface Area
84.66
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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