Chemical Name - Droxidopa
Mol Weight - 213.188
Smiles - NC(C(c(cc1)cc(O)c1O)O)C(O)=O
Mol Weight - 213.188
Smiles - NC(C(c(cc1)cc(O)c1O)O)C(O)=O
| Property Value | |
| Mol Name | Droxidopa |
| Molweight | 213.188 |
| Monoisotopic Mass | 213.063724 |
| Clogp | -3.3107 |
| Clogs | -0.401 |
| H Acceptors | 6 |
| H Donors | 5 |
| Total Surface Area | 149.93 |
| Relative Psa | 0.53832 |
| Polar Surface Area | 124.01 |
| Druglikeness | -5.5254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.57641 |
| Molecular Complexity | 0.64441 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Stereo Centers | 2 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | NC(C(c(cc1)cc(O)c1O)O)C(O)=O |
| InChIKey | |
| InChI | C9H11NO5 |
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