Chem Dl Alanine - Software Services - LIMS|Thermal Safety|ELN|Chemryt Informatics Pvt. Ltd.

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DL-Alanine


  • SKU Code: CH138210
  • Supplier: Camel International
Chemical Name - DL-Alanine
Mol Weight - 89.0936
Smiles - CC(C(O)=O)N
Property Name Property Value
Mol NameDL-Alanine
Molweight89.0936
Monoisotopic Mass89.047679
Clogp-2.9911
Clogs-0.406
H Acceptors3
H Donors2
Total Surface Area70.88
Relative Psa0.58423
Polar Surface Area63.32
Druglikeness-3.896
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.63462
Molecular Complexity0.89588
Fragments1
Non H Atoms6
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers1
Rotatable Bonds1
Sp3 Atoms4
Amines1
Alkyl Amines1
Basic Nitrogens1
Acidic Oxygens1
SmilesCC(C(O)=O)N
InChIKeyInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIQNAYBMKLOCPYGJ-UHFFFAOYSA-N

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