Molecule

ID:86077

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂S
Molecular Mass
243.7099
Exact Mass
243.01207725
Charge
0
InChI
InChI=1S/C10H10NO2S.ClH/c1-10(2)5-13-9-7-6(3-4-14-7)8(12)11(9)10;/h3-4H,5H2,1-2H3;1H/q+1;/p-1
InChIKey
LHNHLEWRDOYWMW-UHFFFAOYSA-M
Canonic Smiles
O=C1c2ccsc2C2=[N+]1C(C)(C)CO2.[Cl-]
Isomeric Smiles
[N+]12=C(c3c(C1=O)ccs3)OCC2(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.4521036
LogD (pH = 7.4)
-1.4521036
Log P
-1.4521036
Molar Refractivity
54.0623
Polarizability
20.38458
Polar Surface Area
29.31
Rotatable Bonds
0
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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