Molecule

ID:64357

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁BF₂O₃
Molecular Mass
346.1760464
Exact Mass
346.15518137
Charge
0
InChI
InChI=1S/C19H21BF2O3/c1-18(2)19(3,4)25-20(24-18)16-15(11-10-14(21)17(16)22)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChIKey
NAHWIASKEBANNQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1F)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Isomeric Smiles
B1(c2c(c(ccc2OCc2ccccc2)F)F)OC(C(O1)(C)C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.7033
LogD (pH = 7.4)
5.7033
Log P
5.7033
Molar Refractivity
87.2217
Polarizability
35.437843
Polar Surface Area
27.69
Rotatable Bonds
4
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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