Molecule
ID:95602
General Information
Molecular Formula
C₂₆H₁₈F₆NP
Molecular Mass
489.3920002
Exact Mass
489.10810553
Charge
0
InChI
InChI=1S/C26H18F6NP/c27-25(28,29)19-16-20(26(30,31)32)18-21(17-19)33-34(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H
InChIKey
DBWBZKILJZQBJC-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(F)F
Isomeric Smiles
P(=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
9.046464
LogD (pH = 7.4)
9.046499
Log P
9.0465
Molar Refractivity
123.7588
Polarizability
44.968002
Polar Surface Area
12.36
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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