Molecule

ID:101446

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₃S
Molecular Mass
284.71876
Exact Mass
284.00224084
Charge
0
InChI
InChI=1S/C11H9ClN2O3S/c1-8-6-13-7-11(14-8)17-9-2-4-10(5-3-9)18(12,15)16/h2-7H,1H3
InChIKey
GUJMBSPJUZJPEB-UHFFFAOYSA-N
Canonic Smiles
Cc1cncc(n1)Oc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(Oc2nc(cnc2)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.710317
LogD (pH = 7.4)
1.7103188
Log P
1.7103189
Molar Refractivity
67.0842
Polarizability
26.743462
Polar Surface Area
69.15
Rotatable Bonds
3
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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