Molecule

ID:6678

General Information
Structure
MolImage
Molecular Formula
C₁₀HF₁₉O₂
Molecular Mass
514.0834008
Exact Mass
513.96731545
Charge
0
InChI
InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h(H,30,31)
InChIKey
KZUSAXRVIONPJU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Isomeric Smiles
C(C(=O)O)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
-9.195671
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4613297
LogD (pH = 7.4)
2.4613297
Log P
5.9907975
Molar Refractivity
51.5461
Polarizability
20.554857
Polar Surface Area
37.3
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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