Molecule

ID:45193

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃NO
Molecular Mass
254.0040296
Exact Mass
252.93501038
Charge
0
InChI
InChI=1S/C7H3BrF3NO/c8-6-4(3-13)1-2-5(12-6)7(9,10)11/h1-3H
InChIKey
ASPYNUKRQBNFIT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1Br)C(F)(F)F
Isomeric Smiles
n1c(c(ccc1C(F)(F)F)C=O)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7060492
LogD (pH = 7.4)
2.7060492
Log P
2.7060492
Molar Refractivity
44.5518
Polarizability
15.967357
Polar Surface Area
29.96
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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