Molecule

ID:32808

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BFNO₂
Molecular Mass
223.0517032
Exact Mass
223.11798735
Charge
0
InChI
InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3
InChIKey
MLFGHAHGSVFKMI-UHFFFAOYSA-N
Canonic Smiles
Fc1cnccc1B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1c(c(ccn1)B1OC(C(O1)(C)C)(C)C)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7279966
LogD (pH = 7.4)
2.728
Log P
2.728
Molar Refractivity
53.7726
Polarizability
22.780586
Polar Surface Area
31.35
Rotatable Bonds
1
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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