Molecule

ID:75395

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₃S
Molecular Mass
303.16112
Exact Mass
301.95712048
Charge
0
InChI
InChI=1S/C12H8Cl2O3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H
InChIKey
XOXRXINFTQAJBW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
O(c1ccc(cc1)S(=O)(=O)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0238805
LogD (pH = 7.4)
4.0238805
Log P
4.0238805
Molar Refractivity
71.2978
Polarizability
28.604744
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Molecular Spectra
Molecule Details
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References
Bioactivity
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