Molecule

ID:93489

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆F₁₄N₂O
Molecular Mass
508.2092848
Exact Mass
508.0256579
Charge
0
InChI
InChI=1S/C16H6F14N2O/c17-11(18,13(21,22)15(25,26)27)8-6-9(12(19,20)14(23,24)16(28,29)30)32(31-8)10(33)7-4-2-1-3-5-7/h1-6H
InChIKey
DGBYBXYRVSOLPD-UHFFFAOYSA-N
Canonic Smiles
O=C(n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)c1ccccc1
Isomeric Smiles
O=C(n1nc(cc1C(C(C(F)(F)F)(F)F)(F)F)C(C(F)(C(F)(F)F)F)(F)F)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3155327
LogD (pH = 7.4)
6.3155327
Log P
6.3155327
Molar Refractivity
79.8111
Polarizability
28.602423
Polar Surface Area
34.89
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
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Molecule Details
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References
Bioactivity
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