Molecule

ID:26503

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃OS
Molecular Mass
195.24156
Exact Mass
195.04663292
Charge
0
InChI
InChI=1S/C8H9N3OS/c1-4-3-6-7(13-4)10-5(2)11(9)8(6)12/h3H,9H2,1-2H3
InChIKey
PSLGAMKWMYXUSC-UHFFFAOYSA-N
Canonic Smiles
Cc1sc2c(c1)c(=O)n(c(n2)C)N
Isomeric Smiles
c12c(nc(n(c1=O)N)C)sc(c2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0673325
LogD (pH = 7.4)
1.0692391
Log P
1.0692636
Molar Refractivity
53.196
Polarizability
18.75286
Polar Surface Area
58.69
Rotatable Bonds
0
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