Mol Weight - 181.19
Smiles - COC([C@@H](c(cc1)ccc1O)N)=O.Cl
| Property Name | Property Value |
| Mol Name | (R)-Amino-(4-Hydroxyphenyl)Acetic Acid Methyl Ester Hydrochloride |
| Molweight | 181.19 |
| Monoisotopic Mass | 181.073894 |
| Clogp | -0.2429 |
| Clogs | -0.954 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 140.64 |
| Relative Psa | 0.36554 |
| Polar Surface Area | 72.55 |
| Druglikeness | -14.294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.69231 |
| Molecular Flexibility | 0.3519 |
| Molecular Complexity | 0.59725 |
| Fragments | 2 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 1 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | COC([C@@H](c(cc1)ccc1O)N)=O.Cl |
| InChIKey | InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1 |
| InChI | UYCKVJUNDXPDJH-DDWIOCJRSA-N |
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1 — (R)-Amino-(4-Hydroxyphenyl)Acetic Acid Methyl Ester Hydrochloride | 2 — (R)-Amino-(4-Hydroxyphenyl)Acetic Acid Methyl Ester Hydrochloride