Chemical Name - B-Alanine
Mol Weight - 89.0936
Smiles - NCCC(O)=O
Mol Weight - 89.0936
Smiles - NCCC(O)=O
| Property Value | |
| Mol Name | B-Alanine |
| Molweight | 89.0936 |
| Monoisotopic Mass | 89.047679 |
| Clogp | -2.896 |
| Clogs | -0.298 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 73.64 |
| Relative Psa | 0.56233 |
| Polar Surface Area | 63.32 |
| Druglikeness | -1.6073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.83333 |
| Molecular Flexibility | 0.79895 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 4 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | NCCC(O)=O |
| InChIKey | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
| InChI | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
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1 - B-Alanine
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