Molecule

ID:100033

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂F₃N₂
Molecular Mass
281.0613096
Exact Mass
279.97818819
Charge
0
InChI
InChI=1S/C10H5Cl2F3N2/c1-4-9(10(13,14)15)17-8-3-6(12)5(11)2-7(8)16-4/h2-3H,1H3
InChIKey
GGGIXFQHHSLMBI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2nc(C)c(nc2cc1Cl)C(F)(F)F
Isomeric Smiles
n1c(c(nc2cc(c(cc12)Cl)Cl)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.902236
LogD (pH = 7.4)
3.9022367
Log P
3.9022367
Molar Refractivity
57.2532
Polarizability
22.827755
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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