Molecule

ID:43211

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S
Molecular Mass
241.69402
Exact Mass
240.99642718
Charge
0
InChI
InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3
InChIKey
XISSCVMIXDMKLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)sc(n2)Cl
Isomeric Smiles
n1c(sc2c1ccc(C(=O)OCC)c2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3877704
LogD (pH = 7.4)
3.387771
Log P
3.3877711
Molar Refractivity
58.9285
Polarizability
23.90612
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Molecular Spectra
Molecule Details
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References
Bioactivity
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