Molecule

ID:97648

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₃NO
Molecular Mass
266.0147296
Exact Mass
264.93501038
Charge
0
InChI
InChI=1S/C8H3BrF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H
InChIKey
KAKWODPBBWZVMD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)Br)OC(F)(F)F
Isomeric Smiles
N#Cc1cc(c(cc1)OC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0292063
LogD (pH = 7.4)
4.0292063
Log P
4.0292063
Molar Refractivity
42.4727
Polarizability
17.343485
Polar Surface Area
33.02
Rotatable Bonds
2
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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