Molecule

ID:61799

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClF
Molecular Mass
209.4434232
Exact Mass
207.909068
Charge
0
InChI
InChI=1S/C6H3BrClF/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey
YFFUYGSLQXVHMB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Br)F
Isomeric Smiles
c1(c(cc(cc1)Cl)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.488745
LogD (pH = 7.4)
3.488745
Log P
3.488745
Molar Refractivity
38.702
Polarizability
14.949682
Polar Surface Area
0.0
Rotatable Bonds
0
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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