Molecule

ID:96861

General Information
Structure
MolImage
Molecular Formula
C₁₇H₈F₆N₂O₂
Molecular Mass
386.2480392
Exact Mass
386.04899683
Charge
0
InChI
InChI=1S/C17H8F6N2O2/c18-16(19,20)15(17(21,22)23,11-1-5-13(6-2-11)24-9-26)12-3-7-14(8-4-12)25-10-27/h1-8H
InChIKey
QIPLQPPNURSGKC-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)N=C=O
Isomeric Smiles
FC(F)(F)C(c1ccc(cc1)N=C=O)(c1ccc(cc1)N=C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.2000713
LogD (pH = 7.4)
5.2000713
Log P
5.2000713
Molar Refractivity
95.3223
Polarizability
28.967033
Polar Surface Area
58.86
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
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Molecule Details
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References
Bioactivity
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