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5-Aminoisophthalic Acid


  • SKU Code: CH136396
Chemical Name - 5-Aminoisophthalic Acid
Mol Weight - 181.147
Smiles - Nc1cc(C(O)=O)cc(C(O)=O)c1
Property Name Property Value
Mol Name5-Aminoisophthalic Acid
Molweight181.147
Monoisotopic Mass181.037509
Clogp-0.0475
Clogs-1.718
H Acceptors5
H Donors3
Total Surface Area129.98
Relative Psa0.5197
Polar Surface Area100.62
Druglikeness-1.5411
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.53846
Molecular Flexibility0.40923
Molecular Complexity0.71734
Fragments1
Non H Atoms13
Non Ch Atoms5
Electronegative Atoms5
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms5
Amines1
Aromatic Amines1
Acidic Oxygens2
SmilesNc1cc(C(O)=O)cc(C(O)=O)c1

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