Molecule

ID:42330

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NS
Molecular Mass
215.31402
Exact Mass
215.07687042
Charge
0
InChI
InChI=1S/C13H13NS/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3
InChIKey
AJSXOVAGVRPACZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Sc1ccc(cc1)N
Isomeric Smiles
S(c1ccc(cc1)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.835383
LogD (pH = 7.4)
3.846349
Log P
3.8464906
Molar Refractivity
68.4837
Polarizability
25.911118
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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