Molecule

ID:99045

General Information
Structure
MolImage
Molecular Formula
C₁₀HF₁₉O₃
Molecular Mass
530.0828008
Exact Mass
529.96223007
Charge
0
InChI
InChI=1S/C10HF19O3/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)10(28,29)32-7(21,8(22,23)24)9(25,26)27/h(H,30,31)
InChIKey
LJUULLNFNNTPAJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
-2.0819623
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2694407
LogD (pH = 7.4)
3.2694027
Log P
6.7988696
Molar Refractivity
53.8092
Polarizability
21.381224
Polar Surface Area
46.53
Rotatable Bonds
10
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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