Molecule

ID:61925

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-8H2,1-3H3
InChIKey
MYXLXKKWRQMPOP-UHFFFAOYSA-N
Canonic Smiles
N#CC1CC21CCN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(C(C1)C#N)CCN(C(=O)OC(C)(C)C)CC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3447144
LogD (pH = 7.4)
1.3447144
Log P
1.3447144
Molar Refractivity
64.2712
Polarizability
24.978312
Polar Surface Area
53.33
Rotatable Bonds
2
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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