Molecule

ID:53171

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O
Molecular Mass
137.13928
Exact Mass
137.05891186
Charge
0
InChI
InChI=1S/C6H7N3O/c1-4-2-9-5(3-8-4)6(7)10/h2-3H,1H3,(H2,7,10)
InChIKey
OYBQCUZBVHFPBU-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(cn1)C(=O)N
Isomeric Smiles
c1(cnc(cn1)C(=O)N)C
Calculated Properties
JChem
Acid pKa
13.407565
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0942398
LogD (pH = 7.4)
-1.0942379
Log P
-1.0942383
Molar Refractivity
35.0421
Polarizability
13.189208
Polar Surface Area
68.87
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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