Molecule

ID:64665

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S
Molecular Mass
241.69402
Exact Mass
240.99642718
Charge
0
InChI
InChI=1S/C10H8ClNO2S/c1-2-14-10(13)6-5-12-7-3-4-15-9(7)8(6)11/h3-5H,2H2,1H3
InChIKey
BMGRDHCUAJOXDZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1Cl)scc2
Isomeric Smiles
c1c(c(c2sccc2n1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.981762
LogD (pH = 7.4)
2.981778
Log P
2.9817781
Molar Refractivity
58.4479
Polarizability
23.809057
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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