Molecule

ID:9669

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅Cl₂F₃N₂O
Molecular Mass
309.0714096
Exact Mass
307.97310281
Charge
0
InChI
InChI=1S/C11H5Cl2F3N2O/c12-6-1-3-7(4-2-6)18-9(11(14,15)16)8(5-17-18)10(13)19/h1-5H
InChIKey
NEJFCXJQJOAJMO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)Cl
Isomeric Smiles
c1(c(n(nc1)c1ccc(cc1)Cl)C(F)(F)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6518695
LogD (pH = 7.4)
3.6518712
Log P
3.6518712
Molar Refractivity
66.1904
Polarizability
24.38668
Polar Surface Area
34.89
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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