Molecule

ID:98210

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₅O
Molecular Mass
210.100836
Exact Mass
210.01040582
Charge
0
InChI
InChI=1S/C8H3F5O/c9-4-3(2-1-14-2)5(10)7(12)8(13)6(4)11/h2H,1H2
InChIKey
ZUZPTXICNGFRDG-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(C2OC2)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1C1CO1)F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4507744
LogD (pH = 7.4)
2.4507744
Log P
2.4507744
Molar Refractivity
36.4083
Polarizability
13.204101
Polar Surface Area
12.53
Rotatable Bonds
1
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
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References
Bioactivity
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