Molecule

ID:59175

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂OS
Molecular Mass
180.22692
Exact Mass
180.03573389
Charge
0
InChI
InChI=1S/C8H8N2OS/c1-5-3-4-6-7(9-5)10-8(11-6)12-2/h3-4H,1-2H3
InChIKey
RCLQQPAEIFKRHI-UHFFFAOYSA-N
Canonic Smiles
CSc1nc2c(o1)ccc(n2)C
Isomeric Smiles
n1c2nc(ccc2oc1SC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8710338
LogD (pH = 7.4)
1.8710349
Log P
1.8710349
Molar Refractivity
48.9627
Polarizability
18.955175
Polar Surface Area
38.92
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