Molecule

ID:124652

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NS
Molecular Mass
189.27674
Exact Mass
189.06122036
Charge
0
InChI
InChI=1S/C11H11NS/c1-2-4-10-8(3-1)9-7-13-6-5-11(9)12-10/h1-4,12H,5-7H2
InChIKey
WRRPWBHZXPUYPR-UHFFFAOYSA-N
Canonic Smiles
C1SCc2c(C1)[nH]c1c2cccc1
Isomeric Smiles
c12c([nH]c3c1cccc3)CCSC2
Calculated Properties
JChem
Acid pKa
16.010464
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.5704467
LogD (pH = 7.4)
2.5704467
Log P
2.5704467
Molar Refractivity
57.9867
Polarizability
23.385166
Polar Surface Area
15.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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