Molecule

ID:51380

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃O₂
Molecular Mass
225.28746
Exact Mass
225.14772686
Charge
0
InChI
InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3
InChIKey
ZDAOYEIIJSEFSW-UHFFFAOYSA-N
Canonic Smiles
N#CC1(N)CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(C#N)(CC1)N)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0021582
LogD (pH = 7.4)
0.010239119
Log P
0.06557171
Molar Refractivity
60.174
Polarizability
23.55764
Polar Surface Area
79.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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