Molecule

ID:116508

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂OS
Molecular Mass
206.2642
Exact Mass
206.05138395
Charge
0
InChI
InChI=1S/C10H10N2OS/c11-10(12)14-6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H3,11,12)
InChIKey
JYPUOIMPIXJVJY-UHFFFAOYSA-N
Canonic Smiles
NC(=N)SCc1cc2c(o1)cccc2
Isomeric Smiles
o1c(cc2c1cccc2)CSC(=N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.4569985
LogD (pH = 7.4)
-0.37925935
Log P
1.9573727
Molar Refractivity
68.5137
Polarizability
23.342678
Polar Surface Area
63.01
Rotatable Bonds
3
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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