Molecule

ID:43331

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₃NO₂
Molecular Mass
274.0240696
Exact Mass
272.95711839
Charge
0
InChI
InChI=1S/C8H4Cl2F3NO2/c1-16-7(15)4-3(8(11,12)13)2-14-6(10)5(4)9/h2H,1H3
InChIKey
CGRVJEBAEWKDGY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(Cl)c(Cl)ncc1C(F)(F)F
Isomeric Smiles
c1(c(C(F)(F)F)cnc(c1Cl)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0651653
LogD (pH = 7.4)
3.0651653
Log P
3.0651653
Molar Refractivity
52.571
Polarizability
19.400818
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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