Molecule

ID:12133

General Information
Structure
MolImage
Molecular Formula
C₉H₂F₄O₂
Molecular Mass
218.1045928
Exact Mass
217.99909218
Charge
0
InChI
InChI=1S/C9H2F4O2/c10-5-3-1-2-4(14)15-9(3)8(13)7(12)6(5)11/h1-2H
InChIKey
HTKMOKUQPFWCEI-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(o1)c(F)c(c(c2F)F)F
Isomeric Smiles
o1c(=O)ccc2c(c(c(c(c12)F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3541675
LogD (pH = 7.4)
2.3541675
Log P
2.3541675
Molar Refractivity
42.4142
Polarizability
15.009513
Polar Surface Area
26.3
Rotatable Bonds
0
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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