Molecule
ID:64124
General Information
Molecular Formula
C₅H₆N₂O₂S
Molecular Mass
158.17834
Exact Mass
158.01499844
Charge
0
InChI
InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3,(H2,6,7)
InChIKey
UJNNCGWBDJHCEM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(s1)N
Isomeric Smiles
c1(sc(nc1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
15.221615
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6224441
LogD (pH = 7.4)
0.6232685
Log P
0.62327904
Molar Refractivity
37.2495
Polarizability
13.8334255
Polar Surface Area
65.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...