Molecule

ID:26239

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂S
Molecular Mass
214.2862
Exact Mass
214.05646933
Charge
0
InChI
InChI=1S/C12H10N2S/c1-8-11(9-5-3-2-4-6-9)10(7-13)12(14)15-8/h2-6H,14H2,1H3
InChIKey
PQPYGNLKAWFNAF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)sc(c1c1ccccc1)C
Isomeric Smiles
c1(c(sc(c1c1ccccc1)C)N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2399402
LogD (pH = 7.4)
3.2399402
Log P
3.2399402
Molar Refractivity
62.9382
Polarizability
24.679434
Polar Surface Area
49.81
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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