Molecule

ID:67090

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂O₃
Molecular Mass
212.24564
Exact Mass
212.11609238
Charge
0
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,5-6H2,1-3H3
InChIKey
IEGAWSYJCQMVBM-UHFFFAOYSA-N
Canonic Smiles
N#CC1CN(CC1O)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(C(C1)O)C#N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.887089
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.013716745
LogD (pH = 7.4)
0.0137166055
Log P
0.013716747
Molar Refractivity
53.5022
Polarizability
20.862436
Polar Surface Area
73.56
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
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Molecule Details
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References
Bioactivity
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