Molecule

ID:18874

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O₂S
Molecular Mass
194.63928
Exact Mass
193.99167615
Charge
0
InChI
InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-7-8(4)2/h3H,1-2H3
InChIKey
UYNDJYIYDFTXCG-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1C)S(=O)(=O)Cl
Isomeric Smiles
c1(S(=O)(=O)Cl)c(n(nc1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5469606
LogD (pH = 7.4)
0.5469701
Log P
0.54697025
Molar Refractivity
54.3053
Polarizability
16.874765
Polar Surface Area
51.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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