Molecule

ID:100358

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆F₁₆N₂
Molecular Mass
530.2066912
Exact Mass
530.02754972
Charge
0
InChI
InChI=1S/C16H6F16N2/c17-10(18,12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32)8-6-9(11(19,20)21)34(33-8)7-4-2-1-3-5-7/h1-6H
InChIKey
WIPIDCGMVBMTAV-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(nn1c1ccccc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1c(cc(n1c1ccccc1)C(F)(F)F)C(F)(F)C(C(F)(C(F)(F)C(F)(C(F)(F)F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.623826
LogD (pH = 7.4)
7.6238265
Log P
7.6238265
Molar Refractivity
79.2126
Polarizability
29.005589
Polar Surface Area
17.82
Rotatable Bonds
8
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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