Molecule

ID:96930

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrF₃O
Molecular Mass
269.0584296
Exact Mass
267.97106154
Charge
0
InChI
InChI=1S/C9H8BrF3O/c1-6-2-7(5-10)4-8(3-6)14-9(11,12)13/h2-4H,5H2,1H3
InChIKey
WRJCQRHFOGJLLM-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(cc(c1)C)OC(F)(F)F
Isomeric Smiles
BrCc1cc(cc(c1)OC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.690516
LogD (pH = 7.4)
4.690516
Log P
4.690516
Molar Refractivity
47.0199
Polarizability
18.833319
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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