Chemical Name - Isatoic Anhydride
Mol Weight - 163.132
Smiles - O=C(c(cccc1)c1N1)OC1=O
Mol Weight - 163.132
Smiles - O=C(c(cccc1)c1N1)OC1=O
| Property Value | |
| Mol Name | Isatoic Anhydride |
| Molweight | 163.132 |
| Monoisotopic Mass | 163.026944 |
| Clogp | 0.6555 |
| Clogs | -2.639 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 116.72 |
| Relative Psa | 0.4073 |
| Polar Surface Area | 55.4 |
| Druglikeness | -18.335 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.16204 |
| Molecular Complexity | 0.73647 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Amides | 1 |
| Smiles | O=C(c(cccc1)c1N1)OC1=O |
| InChIKey | InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11) |
| InChI | TXJUTRJFNRYTHH-UHFFFAOYSA-N |
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1 - Isatoic Anhydride
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1 - Isatoic Anhydride
2 - Isatoic Anhydride
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