Molecule

ID:70381

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂OS
Molecular Mass
142.17894
Exact Mass
142.02008382
Charge
0
InChI
InChI=1S/C5H6N2OS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3,(H2,6,7)
InChIKey
XLYLXMPLFPQUDL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1csc(n1)N
Isomeric Smiles
C(=O)(C)c1nc(sc1)N
Calculated Properties
JChem
Acid pKa
14.544677
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.42929626
LogD (pH = 7.4)
0.43084073
Log P
0.4308605
Molar Refractivity
35.4709
Polarizability
13.067804
Polar Surface Area
55.98
Rotatable Bonds
1
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