Molecule

ID:44674

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₃O₃S
Molecular Mass
289.56338
Exact Mass
287.91814812
Charge
0
InChI
InChI=1S/C8H7Cl3O3S/c1-2-15(12,13)14-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKey
CNMAELLKDFWHPX-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)Oc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3966768
LogD (pH = 7.4)
3.3966768
Log P
3.3966768
Molar Refractivity
60.0782
Polarizability
24.765825
Polar Surface Area
43.37
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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