Molecule

ID:93572

General Information
Structure
MolImage
Molecular Formula
C₁₃H₆F₁₀N₂
Molecular Mass
380.184172
Exact Mass
380.0371304
Charge
0
InChI
InChI=1S/C13H6F10N2/c14-10(15,12(19,20)13(21,22)23)8-6-9(11(16,17)18)25(24-8)7-4-2-1-3-5-7/h1-6H
InChIKey
UODSQAMBNBPDIE-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(nn1c1ccccc1)C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.521898
LogD (pH = 7.4)
5.5218983
Log P
5.5218983
Molar Refractivity
65.2086
Polarizability
23.513016
Polar Surface Area
17.82
Rotatable Bonds
5
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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