Molecule

ID:90718

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂NO₃S
Molecular Mass
308.18094
Exact Mass
306.98366958
Charge
0
InChI
InChI=1S/C11H11Cl2NO3S/c1-11(2,3)10-14-7-5-4-6(12)9(8(7)17-10)18(13,15)16/h4-5H,1-3H3
InChIKey
FOWBGGZXVDIAFH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1S(=O)(=O)Cl)oc(n2)C(C)(C)C
Isomeric Smiles
o1c2c(c(ccc2nc1C(C)(C)C)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.792814
LogD (pH = 7.4)
3.7928143
Log P
3.7928143
Molar Refractivity
69.8652
Polarizability
29.13197
Polar Surface Area
60.17
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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