Molecule

ID:94349

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₁₃O
Molecular Mass
362.0880616
Exact Mass
361.99763158
Charge
0
InChI
InChI=1S/C8H3F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
InChIKey
WJSFZGPTEQNWCB-UHFFFAOYSA-N
Canonic Smiles
O=CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(F)(F)F)(F)F)(F)F)(F)C(F)(C(F)(F)CC=O)F
Calculated Properties
JChem
Acid pKa
4.8251867
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4294417
LogD (pH = 7.4)
1.7057191
Log P
4.1862144
Molar Refractivity
40.6177
Polarizability
15.706204
Polar Surface Area
17.07
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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