Molecule

ID:60488

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂OS
Molecular Mass
116.14166
Exact Mass
116.00443376
Charge
0
InChI
InChI=1S/C3H4N2OS/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)
InChIKey
FGLWYEULLSTVMA-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(s1)O
Isomeric Smiles
s1c(nnc1C)O
Calculated Properties
JChem
Acid pKa
5.3466873
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.10495857
LogD (pH = 7.4)
-1.0267849
Log P
0.2520413
Molar Refractivity
27.2841
Polarizability
9.771817
Polar Surface Area
46.01
Rotatable Bonds
0
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