Molecule

ID:8634

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂F₁₆O₄
Molecular Mass
490.0949312
Exact Mass
489.96976006
Charge
0
InChI
InChI=1S/C10H2F16O4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)
InChIKey
YPCSMEGZIYWAAZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)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
Isomeric Smiles
C(=O)(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)O
Calculated Properties
JChem
Acid pKa
-5.486568
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.717545
LogD (pH = 7.4)
-1.717545
Log P
5.34139
Molar Refractivity
51.7826
Polarizability
21.010567
Polar Surface Area
74.6
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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