Molecule

ID:93100

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀BF₃O₃
Molecular Mass
364.1665096
Exact Mass
364.14575956
Charge
0
InChI
InChI=1S/C19H20BF3O3/c1-18(2)12-25-20(26-13-18)15-8-9-17(16(10-15)19(21,22)23)24-11-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3
InChIKey
SDWWFKLGRAACRT-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COB(OC1)c1ccc(c(c1)C(F)(F)F)OCc1ccccc1
Isomeric Smiles
B1(c2ccc(c(c2)C(F)(F)F)OCc2ccccc2)OCC(C)(C)CO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.4845
LogD (pH = 7.4)
6.4845
Log P
6.4845
Molar Refractivity
88.2733
Polarizability
35.2539
Polar Surface Area
27.69
Rotatable Bonds
5
Lipinski's Rule of Five
false
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
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References
Bioactivity
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