Molecule

ID:7831

General Information
Structure
MolImage
Molecular Formula
C₉H₂F₁₆O₂
Molecular Mass
446.0854312
Exact Mass
445.97993082
Charge
0
InChI
InChI=1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)
InChIKey
RARQGXBOCXOJPM-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-5.204474
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7952539
LogD (pH = 7.4)
1.7952539
Log P
5.3247213
Molar Refractivity
45.4402
Polarizability
18.446722
Polar Surface Area
37.3
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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