Molecule

ID:108257

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2
InChIKey
CUNNCKOPAWXYDX-UHFFFAOYSA-N
Canonic Smiles
O/N=C\1/CCCC/C1=N/O
Isomeric Smiles
O/N=C\1/CCCC/C1=N/O
Calculated Properties
JChem
Acid pKa
10.5133915
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3518006
LogD (pH = 7.4)
1.3514719
Log P
1.3518049
Molar Refractivity
36.6358
Polarizability
13.942535
Polar Surface Area
65.18
Rotatable Bonds
0
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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