Molecule

ID:16286

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂S
Molecular Mass
192.28068
Exact Mass
192.07211939
Charge
0
InChI
InChI=1S/C10H12N2S/c1-10(2,3)13-9-5-4-6-12-8(9)7-11/h4-6H,1-3H3
InChIKey
VOYCFYNBUBXWDL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncccc1SC(C)(C)C
Isomeric Smiles
c1(c(cccn1)SC(C)(C)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3683577
LogD (pH = 7.4)
2.3683627
Log P
2.368363
Molar Refractivity
55.9628
Polarizability
21.688862
Polar Surface Area
36.68
Rotatable Bonds
2
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
References
Bioactivity
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