Molecule

ID:42074

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂S
Molecular Mass
202.2755
Exact Mass
202.05646933
Charge
0
InChI
InChI=1S/C11H10N2S/c1-14-11-12-7-10(8-13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
XWLUWHOSZCALLD-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc(cn1)c1ccccc1
Isomeric Smiles
c1(ncc(cn1)c1ccccc1)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.003925
LogD (pH = 7.4)
3.0039635
Log P
3.003964
Molar Refractivity
60.5634
Polarizability
24.472836
Polar Surface Area
25.78
Rotatable Bonds
2
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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