Molecule

ID:27122

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-4-5(2-3-10-4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKey
ZFQJEDANHVDMLS-UHFFFAOYSA-N
Canonic Smiles
Cc1occc1C(=O)NN
Isomeric Smiles
c1(C(=O)NN)c(occ1)C
Calculated Properties
JChem
Acid pKa
13.923652
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.13348871
LogD (pH = 7.4)
-0.13279174
Log P
-0.13278274
Molar Refractivity
37.2836
Polarizability
13.287706
Polar Surface Area
68.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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