Molecule

ID:27136

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c7-8-6(9)4-5-2-1-3-10-5/h1-3H,4,7H2,(H,8,9)
InChIKey
LELQUIOICURSJI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1cccs1
Isomeric Smiles
C(c1sccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.523552
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.41868955
LogD (pH = 7.4)
0.42043182
Log P
0.42045718
Molar Refractivity
40.5618
Polarizability
15.332364
Polar Surface Area
55.12
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