Molecule

ID:60406

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃S
Molecular Mass
139.1783
Exact Mass
139.02041818
Charge
0
InChI
InChI=1S/C5H5N3S/c6-4(9)5-7-2-1-3-8-5/h1-3H,(H2,6,9)
InChIKey
QAUHVPUYFSGVME-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ncccn1
Isomeric Smiles
c1(C(=S)N)ncccn1
Calculated Properties
JChem
Acid pKa
10.792511
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.33430707
LogD (pH = 7.4)
0.33419663
Log P
0.3343108
Molar Refractivity
39.4525
Polarizability
14.757727
Polar Surface Area
51.8
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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