Molecule

ID:84429

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₂S
Molecular Mass
282.74594
Exact Mass
282.02297628
Charge
0
InChI
InChI=1S/C12H11ClN2O2S/c1-14-12(16)17-10-4-2-8(3-5-10)11-15-9(6-13)7-18-11/h2-5,7H,6H2,1H3,(H,14,16)
InChIKey
YFCYXZUOLVQTOU-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)Oc1ccc(cc1)c1scc(n1)CCl
Isomeric Smiles
n1c(c2ccc(cc2)OC(=O)NC)scc1CCl
Calculated Properties
JChem
Acid pKa
14.771895
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8228002
LogD (pH = 7.4)
2.822913
Log P
2.8229144
Molar Refractivity
80.4185
Polarizability
27.645874
Polar Surface Area
51.22
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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