Molecule

ID:57514

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃S
Molecular Mass
155.22076
Exact Mass
155.0517183
Charge
0
InChI
InChI=1S/C6H9N3S/c10-6-7-5(8-9-6)4-2-1-3-4/h4H,1-3H2,(H2,7,8,9,10)
InChIKey
JVGCHUJWNBJZMD-UHFFFAOYSA-N
Canonic Smiles
Sc1nc([nH]n1)C1CCC1
Isomeric Smiles
[nH]1nc(nc1C1CCC1)S
Calculated Properties
JChem
Acid pKa
9.359323
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.710255
LogD (pH = 7.4)
1.7057675
Log P
1.710333
Molar Refractivity
43.3162
Polarizability
15.900684
Polar Surface Area
41.57
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
No Data Available
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Molecule Details
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References
Bioactivity
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