Molecule

ID:97817

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrClF₃O₂
Molecular Mass
303.4604296
Exact Mass
301.89570368
Charge
0
InChI
InChI=1S/C8H3BrClF3O2/c9-5-3-4(7(10)14)1-2-6(5)15-8(11,12)13/h1-3H
InChIKey
NCUJEFXFJWHBMH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(ccc1OC(F)(F)F)C(=O)Cl
Isomeric Smiles
ClC(=O)c1cc(c(cc1)OC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3640227
LogD (pH = 7.4)
4.3640227
Log P
4.3640227
Molar Refractivity
47.8658
Polarizability
19.465181
Polar Surface Area
26.3
Rotatable Bonds
3
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
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References
Bioactivity
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