Molecule

ID:94888

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₄BF₄O₂P
Molecular Mass
462.2245338
Exact Mass
462.15430992
Charge
0
InChI
InChI=1S/C24H24O2P.BF4/c1-2-26-23(25)24(18-19-24)27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;2-1(3,4)5/h3-17H,2,18-19H2,1H3;/q+1;-1
InChIKey
RGJYRMUGSAFITK-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.CCOC(=O)C1(CC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
[P+](c1ccccc1)(C1(CC1)C(=O)OCC)(c1ccccc1)c1ccccc1.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.094632
LogD (pH = 7.4)
5.094632
Log P
5.094632
Molar Refractivity
110.1729
Polarizability
43.585716
Polar Surface Area
26.3
Rotatable Bonds
7
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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