Molecule

ID:26504

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃OS
Molecular Mass
209.26814
Exact Mass
209.06228299
Charge
0
InChI
InChI=1S/C9H11N3OS/c1-3-6-4-7-8(14-6)11-5(2)12(10)9(7)13/h4H,3,10H2,1-2H3
InChIKey
KIATWTCBALKJAP-UHFFFAOYSA-N
Canonic Smiles
CCc1sc2c(c1)c(=O)n(c(n2)C)N
Isomeric Smiles
c12c(nc(n(c1=O)N)C)sc(c2)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5120509
LogD (pH = 7.4)
1.5138098
Log P
1.5138322
Molar Refractivity
57.72
Polarizability
20.579967
Polar Surface Area
58.69
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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