Molecule

ID:95118

General Information
Structure
MolImage
Molecular Formula
C₈Cl₅F₃O
Molecular Mass
346.3452096
Exact Mass
343.83438768
Charge
0
InChI
InChI=1S/C8Cl5F3O/c9-3-1(7(13)17)4(10)6(12)2(5(3)11)8(14,15)16
InChIKey
NXYARVYAXCRAAB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(F)(F)F
Isomeric Smiles
O=C(c1c(c(c(c(c1Cl)Cl)C(F)(F)F)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4581857
LogD (pH = 7.4)
5.4581857
Log P
5.4581857
Molar Refractivity
62.3656
Polarizability
23.612326
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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