Molecule

ID:68146

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O₂
Molecular Mass
156.18238
Exact Mass
156.08987763
Charge
0
InChI
InChI=1S/C7H12N2O2/c1-4(2)3-5-6(10)9-7(11)8-5/h4-5H,3H2,1-2H3,(H2,8,9,10,11)
InChIKey
WLRZLHCGXUHRIG-UHFFFAOYSA-N
Canonic Smiles
CC(CC1NC(=O)NC1=O)C
Isomeric Smiles
C1(=O)NC(=O)C(N1)CC(C)C
Calculated Properties
JChem
Acid pKa
8.940018
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.3724981
LogD (pH = 7.4)
0.36044925
Log P
0.37265393
Molar Refractivity
39.2136
Polarizability
15.37034
Polar Surface Area
58.2
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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