Molecule

ID:43877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆N₂S
Molecular Mass
186.23304
Exact Mass
186.0251692
Charge
0
InChI
InChI=1S/C10H6N2S/c11-5-8-1-2-10(12-6-8)9-3-4-13-7-9/h1-4,6-7H
InChIKey
AJMXTGZOVQGOEY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1)c1cscc1
Isomeric Smiles
c1c(cnc(c1)c1cscc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.425184
LogD (pH = 7.4)
2.425187
Log P
2.425187
Molar Refractivity
51.4927
Polarizability
20.878454
Polar Surface Area
36.68
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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