Molecule

ID:56058

General Information
Structure
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-3(6-9)5-4(2)7-10-8-5/h9H,1-2H3/b6-3+
InChIKey
MYHXUYAGTIWVIR-ZZXKWVIFSA-N
Canonic Smiles
C/C(=N\O)/c1nonc1C
Isomeric Smiles
n1c(c(no1)/C(=N/O)/C)C
Calculated Properties
JChem
Acid pKa
5.637823
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5898159
LogD (pH = 7.4)
-2.028694
Log P
-0.3535611
Molar Refractivity
34.8726
Polarizability
12.443801
Polar Surface Area
71.51
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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