Molecule

ID:25975

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀BrFO₂
Molecular Mass
309.1304032
Exact Mass
307.98481978
Charge
0
InChI
InChI=1S/C14H10BrFO2/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-8H,9H2
InChIKey
VYTIHFUUARETBM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OCc1ccccc1F
Isomeric Smiles
c1(c(OCc2c(F)cccc2)ccc(c1)Br)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.164005
LogD (pH = 7.4)
4.164005
Log P
4.164005
Molar Refractivity
71.557
Polarizability
26.835672
Polar Surface Area
26.3
Rotatable Bonds
4
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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