Molecule

ID:94175

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrClF₃O₂
Molecular Mass
267.4283296
Exact Mass
265.89570368
Charge
0
InChI
InChI=1S/C5H3BrClF3O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H,(H,11,12)
InChIKey
DNFYVWJPGXJDRN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/C(C(Br)(F)F)(Cl)F
Isomeric Smiles
BrC(F)(F)C(/C=C/C(=O)O)(F)Cl
Calculated Properties
JChem
Acid pKa
2.9512973
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26838705
LogD (pH = 7.4)
-0.70495635
Log P
2.7751386
Molar Refractivity
41.1272
Polarizability
15.22016
Polar Surface Area
37.3
Rotatable Bonds
3
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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