Molecule

ID:52223

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NS
Molecular Mass
193.3085
Exact Mass
193.09252049
Charge
0
InChI
InChI=1S/C11H15NS/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKey
HZODWYBXBKXJLB-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(=S)(c1ccc(cc1)C(C)(C)C)N
Calculated Properties
JChem
Acid pKa
12.807355
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.258812
LogD (pH = 7.4)
3.2588134
Log P
3.258812
Molar Refractivity
61.7932
Polarizability
23.878569
Polar Surface Area
26.02
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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