Molecule

ID:79922

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂NO₂S
Molecular Mass
212.05382
Exact Mass
210.9261547
Charge
0
InChI
InChI=1S/C5H3Cl2NO2S/c1-10-5(9)3-2(6)4(7)11-8-3/h1H3
InChIKey
CICHVVTYUVANBB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nsc(c1Cl)Cl
Isomeric Smiles
n1c(c(c(s1)Cl)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5062718
LogD (pH = 7.4)
2.5062718
Log P
2.5062718
Molar Refractivity
42.4218
Polarizability
16.775755
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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