Molecule

ID:64361

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉BrF₂O
Molecular Mass
299.1107664
Exact Mass
297.98048335
Charge
0
InChI
InChI=1S/C13H9BrF2O/c14-10-6-7-11(13(16)12(10)15)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
SOVXEAXNAFZMRB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1F)F)OCc1ccccc1
Isomeric Smiles
c1(c(c(ccc1OCc1ccccc1)Br)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.594204
LogD (pH = 7.4)
4.594204
Log P
4.594204
Molar Refractivity
65.1894
Polarizability
24.697157
Polar Surface Area
9.23
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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