Molecule

ID:100484

General Information
Structure
Molecular Formula
C₁₅H₆F₁₄N₂
Molecular Mass
480.1991848
Exact Mass
480.03074328
Charge
0
InChI
InChI=1S/C15H6F14N2/c16-10(12(18,19)20,13(21,22)23)8-6-9(11(17,14(24,25)26)15(27,28)29)31(30-8)7-4-2-1-3-5-7/h1-6H
InChIKey
IBPRXKVIRLEZQU-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)c1cc(nn1c1ccccc1)C(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3998547
LogD (pH = 7.4)
6.399856
Log P
6.399856
Molar Refractivity
75.0928
Polarizability
27.169252
Polar Surface Area
17.82
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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