Molecule

ID:78699

General Information
Structure
Molecular Formula
C₆H₇N₃O
Molecular Mass
137.13928
Exact Mass
137.05891186
Charge
0
InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-2-1-3-8-4-5/h1-4H,7H2,(H,9,10)
InChIKey
KFUSANSHCADHNJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccnc1
Isomeric Smiles
O=C(c1cnccc1)NN
Calculated Properties
JChem
Acid pKa
13.280733
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6911304
LogD (pH = 7.4)
-0.69027346
Log P
-0.690262
Molar Refractivity
37.4636
Polarizability
13.70973
Polar Surface Area
68.01
Rotatable Bonds
1
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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