Molecule

ID:95612

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₁F₆NO₂
Molecular Mass
399.2865592
Exact Mass
399.06939792
Charge
0
InChI
InChI=1S/C19H11F6NO2/c20-18(21,22)13-8-12(9-14(10-13)19(23,24)25)17-7-6-16(28-17)11-26(27)15-4-2-1-3-5-15/h1-11H
InChIKey
DQHFDTKNLHBWNC-UHFFFAOYSA-N
Canonic Smiles
[O-]/[N+](=C\c1ccc(o1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/c1ccccc1
Isomeric Smiles
[N+](=C\c1ccc(o1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(/c1ccccc1)\[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6464524
LogD (pH = 7.4)
5.646455
Log P
5.646455
Molar Refractivity
100.5832
Polarizability
33.092987
Polar Surface Area
41.89
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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