Molecule

ID:97746

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃NO
Molecular Mass
187.1186696
Exact Mass
187.02449841
Charge
0
InChI
InChI=1S/C8H4F3NO/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H
InChIKey
LRXKDMBGOGUYFS-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(c1)ocn2)(F)F
Isomeric Smiles
o1c2cc(ccc2nc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1977122
LogD (pH = 7.4)
2.1977139
Log P
2.1977139
Molar Refractivity
38.6968
Polarizability
14.991244
Polar Surface Area
26.03
Rotatable Bonds
1
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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