Molecule

ID:99643

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃NO₂
Molecular Mass
203.1180696
Exact Mass
203.01941303
Charge
0
InChI
InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-4-2-1-3-6(7)12-5-13/h1-4H
InChIKey
CTMGYQHKKIEXKF-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccccc1OC(F)(F)F
Isomeric Smiles
N(=C=O)c1c(cccc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.313913
LogD (pH = 7.4)
3.313913
Log P
3.313913
Molar Refractivity
38.2003
Polarizability
14.771032
Polar Surface Area
38.66
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
No Data Available
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Molecule Details
References
Bioactivity
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