Molecule

ID:99561

General Information
Structure
MolImage
Molecular Formula
C₈H₃F₄NO
Molecular Mass
205.1091328
Exact Mass
205.0150766
Charge
0
InChI
InChI=1S/C8H3F4NO/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3H
InChIKey
QTSJFYSQJUUNAY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)OC(F)(F)F)F
Isomeric Smiles
N#Cc1cc(c(cc1)F)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4031556
LogD (pH = 7.4)
3.4031556
Log P
3.4031556
Molar Refractivity
35.0663
Polarizability
14.084875
Polar Surface Area
33.02
Rotatable Bonds
2
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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