Molecule

ID:95450

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrF₃O
Molecular Mass
283.0850096
Exact Mass
281.9867116
Charge
0
InChI
InChI=1S/C10H10BrF3O/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6H,1-2H3
InChIKey
KWASTTIZCDIKML-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(c(c1)C(F)(F)F)Br)C
Isomeric Smiles
FC(c1c(ccc(c1)OC(C)C)Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2355585
LogD (pH = 7.4)
4.2355585
Log P
4.2355585
Molar Refractivity
55.2851
Polarizability
20.7358
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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