Molecule

ID:44517

General Information
Structure
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c9-5-4-2-1-3-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10)
InChIKey
CLHGAFMJSNFVRM-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C2N1CCC2
Isomeric Smiles
N1C(=O)N2C(C1=O)CCC2
Calculated Properties
JChem
Acid pKa
10.1940365
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.60879934
LogD (pH = 7.4)
-0.60947996
Log P
-0.60879064
Molar Refractivity
33.2291
Polarizability
12.846111
Polar Surface Area
49.41
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
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Molecule Details
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References
Bioactivity
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