Molecule

ID:30123

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃OS
Molecular Mass
157.19358
Exact Mass
157.03098286
Charge
0
InChI
InChI=1S/C5H7N3OS/c1-2-3(4(6)9)10-5(7)8-2/h1H3,(H2,6,9)(H2,7,8)
InChIKey
GTAXMXNQWKHRMA-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)C(=O)N)C
Isomeric Smiles
c1(c(nc(s1)N)C)C(=O)N
Calculated Properties
JChem
Acid pKa
13.967477
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.40078443
LogD (pH = 7.4)
-0.39822015
Log P
-0.39818746
Molar Refractivity
38.8941
Polarizability
13.981108
Polar Surface Area
82.0
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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