Molecule

ID:101743

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₃NS
Molecular Mass
280.60122
Exact Mass
278.9443033
Charge
0
InChI
InChI=1S/C10H7Cl2NS.ClH/c11-5-9-6-14-10(13-9)7-2-1-3-8(12)4-7;/h1-4,6H,5H2;1H
InChIKey
CSXLYGPSLQHDEK-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)c1cccc(c1)Cl.Cl
Isomeric Smiles
n1c(scc1CCl)c1cc(Cl)ccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9294677
LogD (pH = 7.4)
3.9295661
Log P
3.9295676
Molar Refractivity
70.5175
Polarizability
23.923746
Polar Surface Area
12.89
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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