Molecule

ID:25985

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀BrF₃O₂
Molecular Mass
359.1379096
Exact Mass
357.98162622
Charge
0
InChI
InChI=1S/C15H10BrF3O2/c16-13-4-5-14(11(7-13)8-20)21-9-10-2-1-3-12(6-10)15(17,18)19/h1-8H,9H2
InChIKey
KPOACOWTGIHXFV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OCc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(COc2c(cc(cc2)Br)C=O)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8991513
LogD (pH = 7.4)
4.8991513
Log P
4.8991513
Molar Refractivity
77.3143
Polarizability
28.3978
Polar Surface Area
26.3
Rotatable Bonds
5
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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