Molecule

ID:88216

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅S
Molecular Mass
167.1917
Exact Mass
167.02656619
Charge
0
InChI
InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey
WYWHKKSPHMUBEB-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(S)c2c(n1)[nH]cn2
Isomeric Smiles
n1c2c(c(nc1N)S)nc[nH]2
Calculated Properties
JChem
Acid pKa
7.43406
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.23611009
LogD (pH = 7.4)
-0.028956493
Log P
0.24098048
Molar Refractivity
44.5551
Polarizability
16.427376
Polar Surface Area
80.48
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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