Chemical Name - Methyl Anthranilate
Mol Weight - 151.164
Smiles - COC(c(cccc1)c1N)=O
Mol Weight - 151.164
Smiles - COC(c(cccc1)c1N)=O
| Property Value | |
| Mol Name | Methyl Anthranilate |
| Molweight | 151.164 |
| Monoisotopic Mass | 151.063329 |
| Clogp | 0.8953 |
| Clogs | -1.833 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 121.79 |
| Relative Psa | 0.31456 |
| Polar Surface Area | 52.32 |
| Druglikeness | -3.6425 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.63636 |
| Molecular Flexibility | 0.39443 |
| Molecular Complexity | 0.68024 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | COC(c(cccc1)c1N)=O |
| InChIKey | InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3 |
| InChI | VAMXMNNIEUEQDV-UHFFFAOYSA-N |
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1 - Methyl Anthranilate
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