Molecule

ID:70164

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂OS
Molecular Mass
181.03978
Exact Mass
179.92034104
Charge
0
InChI
InChI=1S/C5H2Cl2OS/c6-4-1-3(2-8)5(7)9-4/h1-2H
InChIKey
PTHQASYUHZFSKR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(sc1Cl)Cl
Isomeric Smiles
c1(c(cc(s1)Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0062714
LogD (pH = 7.4)
3.0062714
Log P
3.0062714
Molar Refractivity
37.6772
Polarizability
14.939815
Polar Surface Area
17.07
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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