Molecule

ID:6485

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₉O
Molecular Mass
262.0730488
Exact Mass
262.0040187
Charge
0
InChI
InChI=1S/C6H3F9O/c1-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
InChIKey
LPPFRPMJUNOKRS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(=O)C)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.471587
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3405366
LogD (pH = 7.4)
3.3405366
Log P
3.3405366
Molar Refractivity
31.209
Polarizability
11.887915
Polar Surface Area
17.07
Rotatable Bonds
4
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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