Molecule

ID:98297

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₁₃O₂
Molecular Mass
390.0981616
Exact Mass
389.9925462
Charge
0
InChI
InChI=1S/C9H3F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H,1H2
InChIKey
ADYNCUBVNWLXQE-UHFFFAOYSA-N
Canonic Smiles
C=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(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.062765
LogD (pH = 7.4)
5.062765
Log P
5.062765
Molar Refractivity
45.4552
Polarizability
17.878511
Polar Surface Area
26.3
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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