Molecule

ID:118296

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃S
Molecular Mass
269.70412
Exact Mass
268.9913418
Charge
0
InChI
InChI=1S/C11H8ClNO3S/c12-17(14,15)11-5-3-9(4-6-11)16-10-2-1-7-13-8-10/h1-8H
InChIKey
QUVLZOAPMANZQR-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)Oc1cccnc1
Isomeric Smiles
S(=O)(=O)(c1ccc(Oc2cnccc2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1548994
LogD (pH = 7.4)
2.201527
Log P
2.2021637
Molar Refractivity
64.3361
Polarizability
25.831055
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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