Chem L Aspartic Acid 2 | Cheminformatics
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2D Structure

L-Aspartic Acid


  • SKU Code: CH138226
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Chemical Name - L-Aspartic Acid
Mol Weight - 133.103
Smiles - N[C@@H](CC(O)=O)C(O)=O
Property Name Property Value
Mol NameL-Aspartic Acid
Molweight133.103
Monoisotopic Mass133.037509
Clogp-3.813
Clogs-0.151
H Acceptors5
H Donors3
Total Surface Area96.48
Relative Psa0.70015
Polar Surface Area100.62
Druglikeness-11.987
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.78712
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms5
Electronegative Atoms5
Stereo Centers1
Rotatable Bonds3
Sp3 Atoms5
Amines1
Alkyl Amines1
Basic Nitrogens1
Acidic Oxygens2
SmilesN[C@@H](CC(O)=O)C(O)=O
InChIKeyInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChICKLJMWTZIZZHCS-REOHCLBHSA-N

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