Molecule

ID:74262

General Information
Structure
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c7-6(8-9)4-5-2-1-3-10-5/h1-3,9H,4H2,(H2,7,8)
InChIKey
LHSWRTYGIVUVHO-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/Cc1cccs1)\N
Isomeric Smiles
s1cccc1C/C(=N/O)/N
Calculated Properties
JChem
Acid pKa
11.036867
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6805238
LogD (pH = 7.4)
0.78196543
Log P
0.7835793
Molar Refractivity
40.0215
Polarizability
15.256396
Polar Surface Area
58.61
Rotatable Bonds
2
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