Molecule

ID:8141

General Information
Structure
Molecular Formula
C₉H₂F₁₄O₄
Molecular Mass
440.0874248
Exact Mass
439.97295362
Charge
0
InChI
InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27)
InChIKey
WRYSWXOLGMKBKW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(=O)O)(F)F)(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-3.3150747
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4181771
LogD (pH = 7.4)
-2.4181876
Log P
4.6407475
Molar Refractivity
47.1146
Polarizability
19.097918
Polar Surface Area
74.6
Rotatable Bonds
8
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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