Molecule

ID:81237

General Information
Structure
Molecular Formula
C₄H₅N₃OS
Molecular Mass
143.167
Exact Mass
143.0153328
Charge
0
InChI
InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKey
NKOPQOSBROLOFP-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(=S)[nH]c1=O
Isomeric Smiles
[nH]1c(=O)c(n[nH]c1=S)C
Calculated Properties
JChem
Acid pKa
7.307235
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.018770382
LogD (pH = 7.4)
-0.30233443
Log P
0.025197502
Molar Refractivity
36.5025
Polarizability
13.916326
Polar Surface Area
53.49
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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