Molecule

ID:117043

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-8-3-4(6(7)10)2-5(8)9/h4H,2-3H2,1H3,(H2,7,10)
InChIKey
XDNQKOAFGDBANV-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CC(=O)N(C1)C
Isomeric Smiles
C1(C(=O)N)CN(C(=O)C1)C
Calculated Properties
JChem
Acid pKa
16.112299
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7842239
LogD (pH = 7.4)
-1.7842239
Log P
-1.7842239
Molar Refractivity
35.0627
Polarizability
13.547892
Polar Surface Area
63.4
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
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Molecule Details
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References
Bioactivity
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