Molecule

ID:94180

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrCl₂F₃
Molecular Mass
293.8959896
Exact Mass
291.86690208
Charge
0
InChI
InChI=1S/C7H2BrCl2F3/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChIKey
IQHSSYROJYPFDV-UHFFFAOYSA-N
Canonic Smiles
Brc1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
Clc1c(c(cc(c1)C(F)(F)F)Cl)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.827936
LogD (pH = 7.4)
4.827936
Log P
4.827936
Molar Refractivity
49.2641
Polarizability
18.725763
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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