Molecule

ID:40677

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄ClF₅O₃S
Molecular Mass
358.668376
Exact Mass
357.94898377
Charge
0
InChI
InChI=1S/C12H4ClF5O3S/c13-5-3-1-2-4-6(5)22(19,20)21-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H
InChIKey
BONMTCGVYZSEEY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1S(=O)(=O)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
S(=O)(=O)(Oc1c(c(c(c(c1F)F)F)F)F)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.507626
LogD (pH = 7.4)
4.507626
Log P
4.507626
Molar Refractivity
66.8272
Polarizability
25.814404
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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