Molecule

ID:82054

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKey
VSJRBQDMBFFHMC-UHFFFAOYSA-N
Canonic Smiles
CC1(CC)NC(=O)NC1=O
Isomeric Smiles
N1C(=O)NC(C1=O)(CC)C
Calculated Properties
JChem
Acid pKa
9.203035
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.073746994
LogD (pH = 7.4)
0.06712806
Log P
0.07383206
Molar Refractivity
34.7773
Polarizability
13.547892
Polar Surface Area
58.2
Rotatable Bonds
1
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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