Molecule

ID:121811

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₅O₂
Molecular Mass
169.14138
Exact Mass
169.05997449
Charge
0
InChI
InChI=1S/C5H7N5O2/c1-2(11)8-4(6)3-5(7)10-12-9-3/h1H3,(H2,7,10)(H2,6,8,11)
InChIKey
SCJWBQNKFGEKED-UHFFFAOYSA-N
Canonic Smiles
CC(=O)/N=C(\c1nonc1N)/N
Isomeric Smiles
c1(/C(=N\C(=O)C)/N)c(non1)N
Calculated Properties
JChem
Acid pKa
13.585918
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.8295538
LogD (pH = 7.4)
-1.8295538
Log P
-1.8295536
Molar Refractivity
41.694
Polarizability
14.260917
Polar Surface Area
120.39
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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