Molecule

ID:68062

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₂
Molecular Mass
127.1014
Exact Mass
127.03817642
Charge
0
InChI
InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKey
AUFJTVGCSJNQIF-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)nc(n1)N
Isomeric Smiles
c1(nc(cc(n1)O)O)N
Calculated Properties
JChem
Acid pKa
12.035489
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.48137408
LogD (pH = 7.4)
0.48136994
Log P
0.48137993
Molar Refractivity
31.9575
Polarizability
11.02735
Polar Surface Area
92.26
Rotatable Bonds
0
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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