Molecule

ID:79115

General Information
Structure
Molecular Formula
C₁₁H₇Cl₂NO₃S
Molecular Mass
304.14918
Exact Mass
302.95236945
Charge
0
InChI
InChI=1S/C11H7Cl2NO3S/c12-8-3-5-9(6-4-8)18(15,16)17-10-2-1-7-14-11(10)13/h1-7H
InChIKey
PRQKIXNGZJYLGO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)Oc1cccnc1Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)Oc1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4006646
LogD (pH = 7.4)
3.4006658
Log P
3.4006658
Molar Refractivity
69.4544
Polarizability
27.78051
Polar Surface Area
56.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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