Molecule

ID:88673

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NS
Molecular Mass
201.28744
Exact Mass
201.06122036
Charge
0
InChI
InChI=1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
DGBISJKLNVVJGD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Sc1ccccc1
Isomeric Smiles
S(c1ccccc1N)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3302572
LogD (pH = 7.4)
3.3330338
Log P
3.3330693
Molar Refractivity
63.4425
Polarizability
24.150208
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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