Molecule

ID:6826

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClF₃
Molecular Mass
259.4509296
Exact Mass
257.90587444
Charge
0
InChI
InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChIKey
APSISOSWYXCEQX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Br)C(F)(F)F
Isomeric Smiles
FC(F)(F)c1cc(Br)c(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2238917
LogD (pH = 7.4)
4.2238917
Log P
4.2238917
Molar Refractivity
44.4593
Polarizability
16.686989
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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