Molecule

ID:55562

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NS
Molecular Mass
246.15616
Exact Mass
244.98327565
Charge
0
InChI
InChI=1S/C10H8ClNS.ClH/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8;/h1-5,7H,6H2;1H
InChIKey
YCKSTWGNZKMPKT-UHFFFAOYSA-N
Canonic Smiles
ClCc1scc(n1)c1ccccc1.Cl
Isomeric Smiles
n1c(csc1CCl)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3255045
LogD (pH = 7.4)
3.3255227
Log P
3.325523
Molar Refractivity
55.2245
Polarizability
22.70518
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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