Molecule

ID:76158

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂NO₃S
Molecular Mass
306.16506
Exact Mass
304.96801951
Charge
0
InChI
InChI=1S/C11H8ClNO3S.ClH/c12-17(14,15)11-3-1-9(2-4-11)16-10-5-7-13-8-6-10;/h1-8H;1H
InChIKey
ILYZFHJHELGXFE-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)Oc1ccncc1.Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Oc1ccncc1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7362111
LogD (pH = 7.4)
2.1888974
Log P
2.2021637
Molar Refractivity
64.3361
Polarizability
25.828438
Polar Surface Area
56.26
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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