Molecule

ID:15249

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂F₂₆N₂
Molecular Mass
704.1482632
Exact Mass
703.98028179
Charge
0
InChI
InChI=1S/C15H2F26N2/c16-4(17,6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)38)2-1-3(43-42-2)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)15(39,40)41/h1H,(H,42,43)
InChIKey
MWEVZBCRQDLSLM-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1n[nH]c(c1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
c1c(n[nH]c1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
9.7037735
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
9.345377
LogD (pH = 7.4)
9.343306
Log P
9.345406
Molar Refractivity
77.8783
Polarizability
29.63929
Polar Surface Area
28.68
Rotatable Bonds
12
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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