Molecule

ID:99619

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrFO
Molecular Mass
233.0775032
Exact Mass
231.98990516
Charge
0
InChI
InChI=1S/C9H10BrFO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKey
HFSLIMXPHXLCKX-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1Br)F)C
Isomeric Smiles
Fc1cc(c(cc1)OC(C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.500412
LogD (pH = 7.4)
3.500412
Log P
3.500412
Molar Refractivity
49.5278
Polarizability
19.10445
Polar Surface Area
9.23
Rotatable Bonds
2
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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