Molecule

ID:76946

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂S
Molecular Mass
173.19298
Exact Mass
173.02589748
Charge
0
InChI
InChI=1S/C5H7N3O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
InChIKey
YVKRWIVXIPGKTL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc(s1)N
Isomeric Smiles
n1c(N)sc(n1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.459427
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1414456
LogD (pH = 7.4)
0.1414454
Log P
0.14144576
Molar Refractivity
41.814
Polarizability
14.870568
Polar Surface Area
78.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation