Molecule

ID:93907

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃N₂O₂
Molecular Mass
220.1485896
Exact Mass
220.04596213
Charge
0
InChI
InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
InChIKey
LRUCUGOOQHJEQP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(nc1)C(F)(F)F
Isomeric Smiles
n1c(ncc(c1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0246851
LogD (pH = 7.4)
2.0246851
Log P
2.0246851
Molar Refractivity
45.1308
Polarizability
16.293964
Polar Surface Area
52.08
Rotatable Bonds
4
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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