Molecule

ID:74715

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄S
Molecular Mass
152.17706
Exact Mass
152.01566715
Charge
0
InChI
InChI=1S/C5H4N4S/c1-2-4(10-3-1)5-6-8-9-7-5/h1-3H,(H,6,7,8,9)
InChIKey
XVVLITRCMAVPPY-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)c1n[nH]nn1
Isomeric Smiles
n1c(c2cccs2)nn[nH]1
Calculated Properties
JChem
Acid pKa
7.055036
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5806535
LogD (pH = 7.4)
1.1115657
Log P
1.592247
Molar Refractivity
50.3101
Polarizability
14.38309
Polar Surface Area
54.46
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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