Molecule

ID:93471

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrFO₂
Molecular Mass
219.0078632
Exact Mass
217.93786959
Charge
0
InChI
InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
YYCQXIWKIRQWHN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)cc(c1O)F
Isomeric Smiles
O=Cc1c(c(cc(c1)Br)F)O
Calculated Properties
JChem
Acid pKa
6.99762
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9301713
LogD (pH = 7.4)
2.4064345
Log P
2.9436374
Molar Refractivity
42.4621
Polarizability
15.645924
Polar Surface Area
37.3
Rotatable Bonds
1
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
References
Bioactivity
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