Molecule

ID:26706

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂S
Molecular Mass
124.16366
Exact Mass
124.00951914
Charge
0
InChI
InChI=1S/C5H4N2S/c6-3-4-1-2-8-5(4)7/h1-2H,7H2
InChIKey
XVGHZFWFGXDIOU-UHFFFAOYSA-N
Canonic Smiles
Nc1sccc1C#N
Isomeric Smiles
c1sc(c(c1)C#N)N
Calculated Properties
JChem
Acid pKa
19.41522
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.946854
LogD (pH = 7.4)
0.946854
Log P
0.946854
Molar Refractivity
32.7457
Polarizability
11.978743
Polar Surface Area
49.81
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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