Molecule

ID:93824

General Information
Structure
MolImage
Molecular Formula
C₁₂HF₉O
Molecular Mass
332.1213688
Exact Mass
331.98836863
Charge
0
InChI
InChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H
InChIKey
MLXJPZBMOLLESC-UHFFFAOYSA-N
Canonic Smiles
Fc1c(O)c(F)c(c(c1F)c1c(F)c(F)c(c(c1F)F)F)F
Isomeric Smiles
Oc1c(c(c(c(c1F)F)c1c(c(c(c(c1F)F)F)F)F)F)F
Calculated Properties
JChem
Acid pKa
5.7414765
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.407175
LogD (pH = 7.4)
3.11412
Log P
4.6012235
Molar Refractivity
55.1227
Polarizability
20.350203
Polar Surface Area
20.23
Rotatable Bonds
0
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
References
Bioactivity
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