Chem Trichloroacetic Acid 2ind | Cheminformatics
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2D Structure

Trichloroacetic Acid


  • SKU Code: CH138436
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Chemical Name - Trichloroacetic Acid
Mol Weight - 163.387
Smiles - OC(C(Cl)(Cl)Cl)=O
Property Name Property Value
Mol NameTrichloroacetic Acid
Molweight163.387
Monoisotopic Mass161.904211
Clogp1.1454
Clogs-1.66
H Acceptors2
H Donors1
Total Surface Area94.27
Relative Psa0.27729
Polar Surface Area37.3
Druglikeness-7.3513
Mutagenichigh
Tumorigeniclow
Reproductive Effectivehigh
Irritanthigh
Shape Index0.57143
Molecular Flexibility0.77353
Molecular Complexity0.76753
Fragments1
Non H Atoms7
Non Ch Atoms5
Electronegative Atoms5
Rotatable Bonds1
Sp3 Atoms2
Symmetric Atoms2
Acidic Oxygens1
SmilesOC(C(Cl)(Cl)Cl)=O
InChIKeyInChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIYNJBWRMUSHSURL-UHFFFAOYSA-N

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