Molecule

ID:88413

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂
Molecular Mass
160.21414
Exact Mass
160.12117776
Charge
0
InChI
InChI=1S/C7H16N2O2/c1-7(2,3)11-6(10)8-9(4)5/h1-5H3,(H,8,10)
InChIKey
NVYQWPZWIICWNX-UHFFFAOYSA-N
Canonic Smiles
CN(NC(=O)OC(C)(C)C)C
Isomeric Smiles
N(N(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.908027
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.51223093
LogD (pH = 7.4)
0.5122554
Log P
0.5122569
Molar Refractivity
42.9885
Polarizability
16.969986
Polar Surface Area
41.57
Rotatable Bonds
3
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
References
Bioactivity
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