Chem 246 Trichloropyrimidine Ncc | Cheminformatics
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2D Structure

2,4,6-Trichloropyrimidine


  • SKU Code: CH142074
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Chemical Name - 2,4,6-Trichloropyrimidine
Mol Weight - 183.425
Smiles - Clc1nc(Cl)nc(Cl)c1
InChI - DPVIABCMTHHTGB-UHFFFAOYSA-N
InChIKey - InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
Property Name Property Value
Mol Name2,4,6-Trichloropyrimidine
Molweight183.425
Monoisotopic Mass181.920529
Clogp2.3513
Clogs-2.115
H Acceptors2
Total Surface Area117.04
Relative Psa0.18746
Polar Surface Area25.78
Druglikeness-1.689
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.55556
Molecular Complexity0.67701
Fragments1
Non H Atoms9
Non Ch Atoms5
Electronegative Atoms5
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Symmetric Atoms3
Aromatic Nitrogens2
SmilesClc1nc(Cl)nc(Cl)c1
InChIKeyInChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIDPVIABCMTHHTGB-UHFFFAOYSA-N

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