Molecule

ID:98943

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₄NO
Molecular Mass
209.1408928
Exact Mass
209.04637673
Charge
0
InChI
InChI=1S/C8H7F4NO/c9-7-5(4-13)2-1-3-6(7)14-8(10,11)12/h1-3H,4,13H2
InChIKey
LHGYLAHYSCRENL-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1F)OC(F)(F)F
Isomeric Smiles
NCc1c(c(ccc1)OC(F)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21011019
LogD (pH = 7.4)
1.1563513
Log P
2.6728277
Molar Refractivity
37.8181
Polarizability
15.473871
Polar Surface Area
35.25
Rotatable Bonds
3
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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