Molecule

ID:68179

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKey
VDDMCMFPUSCJNA-QMMMGPOBSA-N
Canonic Smiles
N#C[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@@H](CC1)C#N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9327129
LogD (pH = 7.4)
0.9327129
Log P
0.9327129
Molar Refractivity
52.2947
Polarizability
20.195545
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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