Molecule

ID:102215

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO₂S
Molecular Mass
269.74718
Exact Mass
269.02772731
Charge
0
InChI
InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
InChIKey
XPDXVDYUQZHFPV-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc2c1cccc2S(=O)(=O)Cl)C
Isomeric Smiles
CN(C)c1cccc2c(cccc12)S(=O)(=O)Cl
Calculated Properties
JChem
LogD (pH = 7.4)
3.02
LogD (pH = 5.5)
2.97
Log P
3.02
Rotatable Bonds
2
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.59
Polar Surface Area
37.38
Polarizability
26.40
Molar Refractivity
71.13
LOG S
-3.92
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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