Molecule

ID:12606

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃OS₂
Molecular Mass
215.29586
Exact Mass
215.01870392
Charge
0
InChI
InChI=1S/C7H9N3OS2/c1-2-3-10-5(8)4(6(9)11)13-7(10)12/h2H,1,3,8H2,(H2,9,11)
InChIKey
RCNAPOFQSALVID-UHFFFAOYSA-N
Canonic Smiles
Nc1c(sc(=S)n1CC=C)C(=O)N
Isomeric Smiles
c1(n(c(=S)sc1C(=O)N)CC=C)N
Calculated Properties
JChem
Acid pKa
15.852545
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6069371
LogD (pH = 7.4)
0.6069937
Log P
0.6069944
Molar Refractivity
68.9519
Polarizability
22.44351
Polar Surface Area
72.35
Rotatable Bonds
3
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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