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2D Structure

B-Alanine


  • SKU Code: CH140865
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Chemical Name - B-Alanine
Mol Weight - 89.0936
Smiles - NCCC(O)=O
Property Name Property Value
Mol NameB-Alanine
Molweight89.0936
Monoisotopic Mass89.047679
Clogp-2.896
Clogs-0.298
H Acceptors3
H Donors2
Total Surface Area73.64
Relative Psa0.56233
Polar Surface Area63.32
Druglikeness-1.6073
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.83333
Molecular Flexibility0.79895
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds2
Sp3 Atoms4
Amines1
Alkyl Amines1
Basic Nitrogens1
Acidic Oxygens1
SmilesNCCC(O)=O
InChIKeyInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIUCMIRNVEIXFBKS-UHFFFAOYSA-N

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