Molecule

ID:9473

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₁₃O₂
Molecular Mass
378.0874616
Exact Mass
377.9925462
Charge
0
InChI
InChI=1S/C8H3F13O2/c1-23-2(22)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H3
InChIKey
JHROQORAJUWVCD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5580907
LogD (pH = 7.4)
4.5580907
Log P
4.5580907
Molar Refractivity
41.763
Polarizability
16.535454
Polar Surface Area
26.3
Rotatable Bonds
7
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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