Molecule

ID:9808

General Information
Structure
MolImage
Molecular Formula
C₂₄H₁₈BF₄NaO
Molecular Mass
432.1935028
Exact Mass
432.12845276
Charge
0
InChI
InChI=1S/C24H16BF4.Na.H2O/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;;/h1-16H;;1H2/q-1;+1;
InChIKey
YNVHZVITHIOAMT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)[B-](c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.O.[Na+]
Isomeric Smiles
[B-](c1ccc(cc1)F)(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F.[Na+].O
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.4668
LogD (pH = 7.4)
6.4668
Log P
6.4668
Molar Refractivity
102.7628
Polarizability
40.165684
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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