Molecule

ID:94587

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄F₆N₂
Molecular Mass
264.2112792
Exact Mass
264.10611778
Charge
0
InChI
InChI=1S/C9H14F6N2/c1-5(2)17-6(3)4-7(16,8(10,11)12)9(13,14)15/h5H,4,16H2,1-3H3
InChIKey
GZWNEFVEOHHCJR-UHFFFAOYSA-N
Canonic Smiles
CC(/N=C(/CC(C(F)(F)F)(C(F)(F)F)N)\C)C
Isomeric Smiles
FC(C(C(F)(F)F)(C/C(=N/C(C)C)/C)N)(F)F
Calculated Properties
JChem
Acid pKa
11.750715
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.096236
LogD (pH = 7.4)
2.3188558
Log P
2.3226116
Molar Refractivity
50.8351
Polarizability
18.642076
Polar Surface Area
38.38
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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