Molecule

ID:44186

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NS
Molecular Mass
284.20414
Exact Mass
282.99892572
Charge
0
InChI
InChI=1S/C13H11Cl2NS/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-7H,8,16H2
InChIKey
IJVKDFLSUZEFEU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)SCc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(c(CSc2ccc(N)cc2)ccc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5822015
LogD (pH = 7.4)
4.6010756
Log P
4.6013217
Molar Refractivity
77.7887
Polarizability
29.67432
Polar Surface Area
26.02
Rotatable Bonds
3
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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