Molecule

ID:90708

General Information
Structure
Molecular Formula
C₄H₅N₃OS
Molecular Mass
143.167
Exact Mass
143.0153328
Charge
0
InChI
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey
YFYYRKDBDBILSD-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(=O)[nH]c(=S)[nH]1
Isomeric Smiles
[nH]1c(cc(=O)[nH]c1=S)N
Calculated Properties
JChem
Acid pKa
8.014493
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.46793187
LogD (pH = 7.4)
-0.55987144
Log P
-0.46662077
Molar Refractivity
46.8962
Polarizability
14.0733595
Polar Surface Area
67.15
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
References
Bioactivity
Navigation