Molecule

ID:35487

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₅S
Molecular Mass
169.20758
Exact Mass
169.04221625
Charge
0
InChI
InChI=1S/C5H7N5S/c1-2-3-7-8-5-10(3)9-4(6)11-5/h2H2,1H3,(H2,6,9)
InChIKey
IAPPTBCWQNIGLT-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc2n1nc(s2)N
Isomeric Smiles
n12c(sc(n1)N)nnc2CC
Calculated Properties
JChem
Acid pKa
14.588007
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5011665
LogD (pH = 7.4)
0.5011701
Log P
0.50117016
Molar Refractivity
65.0666
Polarizability
15.097917
Polar Surface Area
69.1
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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