Molecule

ID:56065

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O₂
Molecular Mass
115.0907
Exact Mass
115.03817642
Charge
0
InChI
InChI=1S/C3H5N3O2/c1-7-3-2(4)5-8-6-3/h1H3,(H2,4,5)
InChIKey
BZXHBVIPEFVWOR-UHFFFAOYSA-N
Canonic Smiles
COc1nonc1N
Isomeric Smiles
n1c(c(no1)OC)N
Calculated Properties
JChem
Acid pKa
11.970693
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.2355912
LogD (pH = 7.4)
-0.23560204
Log P
-0.23559107
Molar Refractivity
28.2192
Polarizability
9.308984
Polar Surface Area
74.17
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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