Molecule

ID:97303

General Information
Structure
MolImage
Molecular Formula
C₈HF₇O₂
Molecular Mass
262.0811624
Exact Mass
261.98647681
Charge
0
InChI
InChI=1S/C8HF7O2/c9-2-1-3(10)5(12)6(4(2)11)17-7(16)8(13,14)15/h1H
InChIKey
OJLSSULCTKBVOB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)Oc1c(F)c(F)cc(c1F)F
Isomeric Smiles
O(c1c(c(cc(c1F)F)F)F)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2836432
LogD (pH = 7.4)
3.2836432
Log P
3.2836432
Molar Refractivity
39.0662
Polarizability
14.268342
Polar Surface Area
26.3
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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