Molecule
ID:122788
General Information
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(4)10/h3,7H,1-2H3
InChIKey
KIKRBHWZESXXIH-UHFFFAOYSA-N
Canonic Smiles
CNC1=CC(=O)N(C1=O)C
Isomeric Smiles
N1(C(=O)C(=CC1=O)NC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1354922
LogD (pH = 7.4)
-1.1354852
Log P
-1.135485
Molar Refractivity
36.6476
Polarizability
13.29664
Polar Surface Area
49.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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