Molecule

ID:94821

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrFO₂
Molecular Mass
309.1304032
Exact Mass
307.98481978
Charge
0
InChI
InChI=1S/C14H10BrFO2/c1-18-13-6-5-10(8-12(13)16)14(17)9-3-2-4-11(15)7-9/h2-8H,1H3
InChIKey
XFBBZIQLOGYHLY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)C(=O)c1cccc(c1)Br
Isomeric Smiles
Brc1cccc(c1)C(=O)c1ccc(c(c1)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1863823
LogD (pH = 7.4)
4.1863823
Log P
4.1863823
Molar Refractivity
70.9359
Polarizability
26.985197
Polar Surface Area
26.3
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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