Molecule

ID:83186

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂S
Molecular Mass
268.71936
Exact Mass
268.00732622
Charge
0
InChI
InChI=1S/C11H9ClN2O2S/c1-8-13-6-5-11(14-8)9-3-2-4-10(7-9)17(12,15)16/h2-7H,1H3
InChIKey
ZLLPUDLQNCNHFM-UHFFFAOYSA-N
Canonic Smiles
Cc1nccc(n1)c1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(ccc1)c1ccnc(n1)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.5728617
LogD (pH = 7.4)
2.5742443
Log P
2.574262
Molar Refractivity
66.3051
Polarizability
27.27522
Polar Surface Area
59.92
Rotatable Bonds
2
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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