Molecule

ID:81012

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃OS
Molecular Mass
143.167
Exact Mass
143.0153328
Charge
0
InChI
InChI=1S/C4H5N3OS/c1-2-3(4(5)8)9-7-6-2/h1H3,(H2,5,8)
InChIKey
SJWSGYOCBFJBAX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1snnc1C
Isomeric Smiles
n1nc(c(s1)C(=O)N)C
Calculated Properties
JChem
Acid pKa
10.0724745
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3235565
LogD (pH = 7.4)
-0.32274514
Log P
-0.32356668
Molar Refractivity
33.81
Polarizability
12.05387
Polar Surface Area
68.87
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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