Molecule

ID:99068

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀BrFO₂
Molecular Mass
333.1518032
Exact Mass
331.98481978
Charge
0
InChI
InChI=1S/C16H10BrFO2/c1-9-13-8-12(18)5-6-14(13)20-16(19)15(9)10-3-2-4-11(17)7-10/h2-8H,1H3
InChIKey
FEGDDNWPWJDHNM-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)c1c(=O)oc2c(c1C)cc(cc2)F
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)C)c1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.662297
LogD (pH = 7.4)
4.662297
Log P
4.662297
Molar Refractivity
78.1219
Polarizability
29.65799
Polar Surface Area
26.3
Rotatable Bonds
1
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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