Molecule

ID:59464

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂F₃N
Molecular Mass
306.9058696
Exact Mass
304.86625779
Charge
0
InChI
InChI=1S/C6H3BrF3N.BrH/c7-5-1-2-11-3-4(5)6(8,9)10;/h1-3H;1H
InChIKey
MHIFEMQDYMMYRS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccncc1C(F)(F)F.Br
Isomeric Smiles
c1c(c(ccn1)Br)C(F)(F)F.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4008777
LogD (pH = 7.4)
2.402158
Log P
2.4021745
Molar Refractivity
37.4976
Polarizability
13.9384775
Polar Surface Area
12.89
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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