Molecule

ID:96972

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrFO
Molecular Mass
215.0191632
Exact Mass
213.94295497
Charge
0
InChI
InChI=1S/C8H4BrFO/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4H
InChIKey
TYBMMMOEVBNTDU-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c2c(c1)cco2
Isomeric Smiles
o1c2c(cc(cc2cc1)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0438237
LogD (pH = 7.4)
3.0438237
Log P
3.0438237
Molar Refractivity
42.7383
Polarizability
17.241022
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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