Molecule

ID:53945

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃NO
Molecular Mass
211.5689096
Exact Mass
211.00117613
Charge
0
InChI
InChI=1S/C7H5ClF3NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3
InChIKey
FWEFQJNETFIPKG-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.89443
LogD (pH = 7.4)
2.89443
Log P
2.89443
Molar Refractivity
42.5176
Polarizability
15.345288
Polar Surface Area
22.12
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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