Molecule

ID:99118

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrCl₂FO
Molecular Mass
271.8985832
Exact Mass
269.86501026
Charge
0
InChI
InChI=1S/C7H2BrCl2FO/c8-4-2-5(9)3(7(10)12)1-6(4)11/h1-2H
InChIKey
IQFUAYKLNRHXJT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(F)c(cc1Cl)Br
Isomeric Smiles
Clc1c(cc(c(c1)Br)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6796577
LogD (pH = 7.4)
3.6796577
Log P
3.6796577
Molar Refractivity
49.8167
Polarizability
18.94132
Polar Surface Area
17.07
Rotatable Bonds
1
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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