Molecule

ID:29969

General Information
Structure
Molecular Formula
C₇H₃BrClF₃
Molecular Mass
259.4509296
Exact Mass
257.90587444
Charge
0
InChI
InChI=1S/C7H3BrClF3/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
InChIKey
ZIPJFBGICWZITF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Br)C(F)(F)F
Isomeric Smiles
C(c1c(cc(cc1)Cl)Br)(F)(F)F
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
16.675505
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
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References
Bioactivity
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