Molecule

ID:13040

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂OS
Molecular Mass
142.17894
Exact Mass
142.02008382
Charge
0
InChI
InChI=1S/C5H6N2OS/c6-4(8)3-1-2-9-5(3)7/h1-2H,7H2,(H2,6,8)
InChIKey
WHZIZZOTISTHCT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccsc1N
Isomeric Smiles
c1(c(scc1)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.075613
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5913979
LogD (pH = 7.4)
0.59139806
Log P
0.59139806
Molar Refractivity
36.1025
Polarizability
13.041726
Polar Surface Area
69.11
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