Molecule

ID:99321

General Information
Structure
Molecular Formula
C₈H₃BrF₃NO
Molecular Mass
266.0147296
Exact Mass
264.93501038
Charge
0
InChI
InChI=1S/C8H3BrF3NO/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-3H
InChIKey
BSDMYPNZFMPNSE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1OC(F)(F)F)Br
Isomeric Smiles
N#Cc1c(cc(cc1)Br)OC(F)(F)F
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
17.339582
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
No Data Available
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Molecule Details
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References
Bioactivity
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