Molecule

ID:96445

General Information
Structure
MolImage
Molecular Formula
C₁₅H₆Cl₂F₄OS
Molecular Mass
381.1721528
Exact Mass
379.94525405
Charge
0
InChI
InChI=1S/C15H6Cl2F4OS/c16-6-1-2-10(9(17)3-6)23-5-7-4-8-11(18)12(19)13(20)14(21)15(8)22-7/h1-4H,5H2
InChIKey
BJOWRCQCMIANSQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)SCc1oc2c(c1)c(F)c(c(c2F)F)F
Isomeric Smiles
o1c2c(c(c(c(c2F)F)F)F)cc1CSc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.924272
LogD (pH = 7.4)
5.924272
Log P
5.924272
Molar Refractivity
82.8265
Polarizability
31.904308
Polar Surface Area
13.14
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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