Molecule

ID:100191

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅Cl₂F₃N₂O
Molecular Mass
309.0714096
Exact Mass
307.97310281
Charge
0
InChI
InChI=1S/C11H5Cl2F3N2O/c12-8-5-17-18(10(19)9(8)13)7-3-1-6(2-4-7)11(14,15)16/h1-5H
InChIKey
JPRADYWRQUBOIS-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c(=O)c1Cl)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
n1(c2ccc(cc2)C(F)(F)F)c(=O)c(c(cn1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5280817
LogD (pH = 7.4)
3.5280817
Log P
3.5280817
Molar Refractivity
66.1915
Polarizability
23.778246
Polar Surface Area
32.67
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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