Molecule

ID:17337

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂OS
Molecular Mass
168.21622
Exact Mass
168.03573389
Charge
0
InChI
InChI=1S/C7H8N2OS/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3
InChIKey
GFSPUASKPCHMEW-UHFFFAOYSA-N
Canonic Smiles
CCSc1ncc(cn1)C=O
Isomeric Smiles
c1(ncc(cn1)C=O)SCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3222659
LogD (pH = 7.4)
1.3222709
Log P
1.322271
Molar Refractivity
46.809
Polarizability
17.20831
Polar Surface Area
42.85
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
References
Bioactivity
Navigation