Molecule

ID:63888

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂NS
Molecular Mass
168.04432
Exact Mass
166.93632546
Charge
0
InChI
InChI=1S/C4H3Cl2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2
InChIKey
VRMUIVKEHJSADG-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnc(s1)Cl
Isomeric Smiles
c1(ncc(s1)CCl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2657313
LogD (pH = 7.4)
2.2657344
Log P
2.2657344
Molar Refractivity
35.9433
Polarizability
13.9287405
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
No Data Available
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Molecule Details
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References
Bioactivity
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