Chemical Name - Isatin
Mol Weight - 147.133
Smiles - O=C(c(cccc1)c1N1)C1=O
Mol Weight - 147.133
Smiles - O=C(c(cccc1)c1N1)C1=O
| Property Value | |
| Mol Name | Isatin |
| Molweight | 147.133 |
| Monoisotopic Mass | 147.032029 |
| Clogp | 0.2181 |
| Clogs | -2.188 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 106.72 |
| Relative Psa | 0.35176 |
| Polar Surface Area | 46.17 |
| Druglikeness | -1.2839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.54545 |
| Molecular Complexity | 0.72612 |
| Fragments | 1 |
| Non H Atoms | 11 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| Smiles | O=C(c(cccc1)c1N1)C1=O |
| InChIKey | InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) |
| InChI | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
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