Molecule

ID:117063

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O₂
Molecular Mass
156.18238
Exact Mass
156.08987763
Charge
0
InChI
InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)
InChIKey
IULFBTHVPRNQCG-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC(=O)C(N1)C(C)C
Isomeric Smiles
N1C(C(=O)NCC1=O)C(C)C
Calculated Properties
JChem
Acid pKa
11.141649
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.75430787
LogD (pH = 7.4)
-0.75437677
Log P
-0.75430703
Molar Refractivity
39.0965
Polarizability
15.37034
Polar Surface Area
58.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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