Molecule

ID:64278

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂NS
Molecular Mass
168.04432
Exact Mass
166.93632546
Charge
0
InChI
InChI=1S/C4H3Cl2NS/c5-1-3-2-8-4(6)7-3/h2H,1H2
InChIKey
HKVYINROOPCUIP-UHFFFAOYSA-N
Canonic Smiles
ClCc1csc(n1)Cl
Isomeric Smiles
n1c(scc1CCl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2147653
LogD (pH = 7.4)
2.214767
Log P
2.214767
Molar Refractivity
35.637
Polarizability
13.927242
Polar Surface Area
12.89
Rotatable Bonds
1
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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