Molecule

ID:114267

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃S
Molecular Mass
215.27426
Exact Mass
215.0517183
Charge
0
InChI
InChI=1S/C11H9N3S/c12-11-10(8-4-3-7-15-8)13-9-5-1-2-6-14(9)11/h1-7H,12H2
InChIKey
LUZIWUCNVIOBGG-UHFFFAOYSA-N
Canonic Smiles
Nc1c(nc2n1cccc2)c1cccs1
Isomeric Smiles
c1(c(n2c(n1)cccc2)N)c1sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.72298837
LogD (pH = 7.4)
1.7412615
Log P
1.8301382
Molar Refractivity
61.5442
Polarizability
24.036644
Polar Surface Area
43.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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