Molecule

ID:88776

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S
Molecular Mass
241.69402
Exact Mass
240.99642718
Charge
0
InChI
InChI=1S/C10H8ClNO2S/c1-7-5-9-8(6-12-7)3-2-4-10(9)15(11,13)14/h2-6H,1H3
InChIKey
QLIQMMPZJXCVPK-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc2c(c1)c(ccc2)S(=O)(=O)Cl
Isomeric Smiles
n1cc2cccc(c2cc1C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8054664
LogD (pH = 7.4)
1.8225014
Log P
1.8227234
Molar Refractivity
59.137
Polarizability
24.722624
Polar Surface Area
47.03
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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