Molecule

ID:94660

General Information
Structure
MolImage
Molecular Formula
C₉F₁₆O
Molecular Mass
428.0701512
Exact Mass
427.96936614
Charge
0
InChI
InChI=1S/C9F16O/c10-1(2(11)4(12,6(14,15)16)7(17,18)19)3(26)5(13,8(20,21)22)9(23,24)25
InChIKey
LHQQPWDNJJTKPI-UHFFFAOYSA-N
Canonic Smiles
F/C(=C(\C(C(F)(F)F)(C(F)(F)F)F)/F)/C(=O)C(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(C(F)(/C(=C(/C(=O)C(C(F)(F)F)(F)C(F)(F)F)\F)/F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.728237
LogD (pH = 7.4)
4.728237
Log P
4.728237
Molar Refractivity
48.0096
Polarizability
17.559654
Polar Surface Area
17.07
Rotatable Bonds
7
Lipinski's Rule of Five
true
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
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References
Bioactivity
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