Molecule

ID:95604

General Information
Structure
Molecular Formula
C₁₀H₅Cl₄FN₂O₂
Molecular Mass
345.9693032
Exact Mass
343.90891635
Charge
0
InChI
InChI=1S/C10H5Cl4FN2O2/c11-4-2-1-3-5(15)6(4)9(18)17-10(19)16-8(14)7(12)13/h1-3H,(H2,16,17,18,19)
InChIKey
HLJSQTJIPIXGPS-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=O)c1c(F)cccc1Cl)NC(=C(Cl)Cl)Cl
Isomeric Smiles
N(C(=O)c1c(cccc1Cl)F)C(=O)NC(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
8.598065
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.519439
LogD (pH = 7.4)
3.4934075
Log P
3.5197856
Molar Refractivity
92.2389
Polarizability
27.248604
Polar Surface Area
58.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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