Molecule

ID:31295

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃S
Molecular Mass
215.27426
Exact Mass
215.0517183
Charge
0
InChI
InChI=1S/C11H9N3S/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10/h1-7H,12H2
InChIKey
ASXLSRKDSOSGQE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cn2c(n1)scc2
Isomeric Smiles
c12nc(cn1ccs2)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1333423
LogD (pH = 7.4)
2.1442592
Log P
2.1444
Molar Refractivity
72.977
Polarizability
24.06432
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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