Chemical Name - L-threonine
Mol Weight - 119.119
Smiles - C[C@H]([C@@H](C(O)=O)N)O
Mol Weight - 119.119
Smiles - C[C@H]([C@@H](C(O)=O)N)O
| Property Value | |
| Mol Name | L-threonine |
| Molweight | 119.119 |
| Monoisotopic Mass | 119.058244 |
| Clogp | -3.5585 |
| Clogs | -0.277 |
| H Acceptors | 4 |
| H Donors | 3 |
| Total Surface Area | 89.73 |
| Relative Psa | 0.60749 |
| Polar Surface Area | 83.55 |
| Druglikeness | -12.838 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.71831 |
| Molecular Complexity | 0.7993 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 2 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 6 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | C[C@H]([C@@H](C(O)=O)N)O |
| InChIKey | InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 |
| InChI | AYFVYJQAPQTCCC-GBXIJSLDSA-N |
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1 - L-threonine
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