Molecule

ID:10055

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₃NO₂
Molecular Mass
239.5790096
Exact Mass
238.99609075
Charge
0
InChI
InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-3-13-6(9)2-5(4)8(10,11)12/h2-3H,1H3
InChIKey
CFJDLJIDLYBQQY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(cc1C(F)(F)F)Cl
Isomeric Smiles
c1c(ncc(c1C(F)(F)F)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4611206
LogD (pH = 7.4)
2.4611206
Log P
2.4611206
Molar Refractivity
47.7662
Polarizability
17.333248
Polar Surface Area
39.19
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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