Mol Weight - 197.189
Smiles - COc(c(OC)c1)cc(C(O)=O)c1N
| Property Name | Property Value |
| Mol Name | 2-Amino-4,5-Dimethoxy Benzoic Acid |
| Molweight | 197.189 |
| Monoisotopic Mass | 197.068809 |
| Clogp | 0.3274 |
| Clogs | -1.741 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 150.4 |
| Relative Psa | 0.40831 |
| Polar Surface Area | 81.78 |
| Druglikeness | -1.3176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.44327 |
| Molecular Complexity | 0.70389 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Acidic Oxygens | 1 |
| Smiles | COc(c(OC)c1)cc(C(O)=O)c1N |
| InChIKey | InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChI | HJVAVGOPTDJYOJ-UHFFFAOYSA-N |
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1 — 2-Amino-4,5-Dimethoxy Benzoic Acid | 2 — 2-Amino-4,5-Dimethoxy Benzoic Acid