Molecule

ID:64997

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂BFO₃
Molecular Mass
292.1534832
Exact Mass
292.16460318
Charge
0
InChI
InChI=1S/C16H22BFO3/c1-15(2)16(3,4)21-17(20-15)13-8-7-12(18)9-14(13)19-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
InChIKey
JMYZOCSPIBZDAE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)OCC1CC1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1c(cc(c(c1)B1OC(C(O1)(C)C)(C)C)OCC1CC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.4971
LogD (pH = 7.4)
4.4971
Log P
4.4971
Molar Refractivity
74.3347
Polarizability
30.974335
Polar Surface Area
27.69
Rotatable Bonds
4
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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