Mol Weight - 251.325
Smiles - CCCN([C@@](C)(C(O)=O)OCC)c1ccccc1
| Property Name | Property Value |
| Mol Name | Ethoxy Phenyl Propyl Alanine |
| Molweight | 251.325 |
| Monoisotopic Mass | 251.152144 |
| Clogp | 2.6144 |
| Clogs | -2.486 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 206.13 |
| Relative Psa | 0.19255 |
| Polar Surface Area | 49.77 |
| Druglikeness | -2.806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.62206 |
| Molecular Complexity | 0.72768 |
| Fragments | 1 |
| Non H Atoms | 18 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 1 |
| Rotatable Bonds | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 2 |
| Acidic Oxygens | 1 |
| Smiles | CCCN([C@@](C)(C(O)=O)OCC)c1ccccc1 |
| InChIKey | InChI=1S/C14H21NO3/c1-4-11-15(12-9-7-6-8-10-12)14(3,13(16)17)18-5-2/h6-10H,4-5,11H2,1-3H3,(H,16,17)/t14-/m1/s1 |
| InChI | FSDYMTSRZCSSIL-CQSZACIVSA-N |
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1 — Ethoxy Phenyl Propyl Alanine | 2 — Ethoxy Phenyl Propyl Alanine