Molecule

ID:62755

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O₂
Molecular Mass
227.30334
Exact Mass
227.16337693
Charge
0
InChI
InChI=1S/C11H21N3O2/c1-13-3-5-14(6-4-13)11(15)10-8-12-2-7-16-9-10/h10,12H,2-9H2,1H3
InChIKey
DBNCUASLYXOQGY-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C1CNCCOC1
Isomeric Smiles
C(=O)(N1CCN(CC1)C)C1CNCCOC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.747451
LogD (pH = 7.4)
-2.9701731
Log P
-1.2565366
Molar Refractivity
62.2745
Polarizability
24.498173
Polar Surface Area
44.81
Rotatable Bonds
1
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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