2-(2,3-dioxoindol-1-yl)acetate
Formula:C10H6NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,3-dioxoindol-1-yl)acetate is a drug-like molecule.
| MolName | 2-(2,3-dioxoindol-1-yl)acetate |
| MolecularFormula | C10H6NO4 |
| Smiles | [O-]C(CN(c(cccc1)c1C1=O)C1=O)=O |
| InChI | InChI=1S/C10H7NO4/c12-8(13)5-11-7-4-2-1-3-6(7)9(14)10(11)15/h1-4H,5H2,(H,12,13)/p-1 |
| InChIK | KYAMYNWIAQNFEG-UHFFFAOYSA-M |
| TotalMolweight | 204.161 |
| Molweight | 204.161 |
| MonoisotopicMass | 204.029684 |
| CLogP | -2.3696 |
| CLogS | -1.939 |
| H Acceptors | 5 |
| TotalSurfaceArea | 144.6 |
| Relative PSA | 0.39385 |
| PolarSurfaceArea | 77.51 |
| Druglikeness | -10.073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2,3-dioxoindol-1-yl)acetate | 2 - 2-(2,3-dioxoindol-1-yl)acetate
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