Molecule

ID:64985

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)8-5-9(13)7-14-6-8/h5-7H,1-4H3
InChIKey
VFMTUTYBMBTIGA-UHFFFAOYSA-N
Canonic Smiles
Fc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
c1(cncc(c1)B1OC(C(O1)(C)C)(C)C)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.727969
LogD (pH = 7.4)
2.7279997
Log P
2.728
Molar Refractivity
53.7726
Polarizability
22.77851
Polar Surface Area
31.35
Rotatable Bonds
1
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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