Molecule

ID:94691

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇BFNO₂
Molecular Mass
261.0996832
Exact Mass
261.13363741
Charge
0
InChI
InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)10-7-9-5-6-17-12(9)11(16)8-10/h5-8,17H,1-4H3
InChIKey
UYRCCVKIZZPVAY-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc2c1[nH]cc2)B1OC(C(O1)(C)C)(C)C
Isomeric Smiles
[nH]1c2c(cc(cc2cc1)B1OC(C(O1)(C)C)(C)C)F
Calculated Properties
JChem
Acid pKa
14.066995
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1413
LogD (pH = 7.4)
4.1412997
Log P
4.1413
Molar Refractivity
67.016
Polarizability
28.858335
Polar Surface Area
34.25
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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