Molecule

ID:51407

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃NO₂
Molecular Mass
270.0034296
Exact Mass
268.929925
Charge
0
InChI
InChI=1S/C7H3BrF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChIKey
DCGZVTANWJKOPM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1Br)C(F)(F)F
Isomeric Smiles
C(c1c(c(ccc1)[N+](=O)[O-])Br)(F)(F)F
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
46.9792
Polarizability
16.873497
Polar Surface Area
45.82
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
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Molecule Details
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References
Bioactivity
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