Molecule

ID:57606

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃S
Molecular Mass
125.15172
Exact Mass
125.00476811
Charge
0
InChI
InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)
InChIKey
YJTBHWXNEMGNDC-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(s1)C#N
Isomeric Smiles
s1c(ncc1C#N)N
Calculated Properties
JChem
Acid pKa
16.04235
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4750903
LogD (pH = 7.4)
0.47588807
Log P
0.47589827
Molar Refractivity
30.9458
Polarizability
11.167418
Polar Surface Area
62.7
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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