Molecule

ID:135481

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₂AuClF₉P
Molecular Mass
698.6989198
Exact Mass
697.98871167
Charge
0
InChI
InChI=1S/C21H12F9P.Au.ClH/c22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30;;/h1-12H;;1H/q;+1;/p-1
InChIKey
UNHMCLFZEQKHCQ-UHFFFAOYSA-M
Canonic Smiles
FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F.[Au]Cl
Isomeric Smiles
c1cc(ccc1C(F)(F)F)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F.Cl[Au]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.755
LogD (pH = 7.4)
7.755
Log P
7.755
Molar Refractivity
99.544
Polarizability
35.810246
Polar Surface Area
0.0
Rotatable Bonds
6
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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