Molecule

ID:96252

General Information
Structure
MolImage
Molecular Formula
C₆H₇BFNO₂
Molecular Mass
154.9346832
Exact Mass
155.05538709
Charge
0
InChI
InChI=1S/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
InChIKey
SYBMNJPUZMUPGQ-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(c(c1)N)F)O
Isomeric Smiles
B(c1cc(c(cc1)F)N)(O)O
Calculated Properties
JChem
Acid pKa
8.814869
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.99586606
LogD (pH = 7.4)
0.9797933
Log P
0.9961
Molar Refractivity
35.5203
Polarizability
14.395622
Polar Surface Area
66.48
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
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Molecule Details
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References
Bioactivity
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