Molecule

ID:6984

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃NO₂
Molecular Mass
270.0034296
Exact Mass
268.929925
Charge
0
InChI
InChI=1S/C7H3BrF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey
ZHLYHEDQTJZYFI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Isomeric Smiles
c1(ccc(c(c1)C(F)(F)F)[N+](=O)[O-])Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5598311
LogD (pH = 7.4)
3.5598311
Log P
3.5598311
Molar Refractivity
45.975
Polarizability
16.867218
Polar Surface Area
43.14
Rotatable Bonds
2
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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