Molecule

ID:127099

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c9-5-3-8-4(7-5)1-2-6(8)10/h4H,1-3H2,(H,7,9)
InChIKey
XTXXOHPHLNROBN-UHFFFAOYSA-N
Canonic Smiles
O=C1CN2C(N1)CCC2=O
Isomeric Smiles
O=C1NC2N(C(=O)CC2)C1
Calculated Properties
JChem
Acid pKa
11.155103
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5355656
LogD (pH = 7.4)
-1.5356324
Log P
-1.5355648
Molar Refractivity
32.8371
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
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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