2-Acetyl-2-amino-4-hydroxyindeno[1,2-b]oxet-3-one
PubChem CID: 5315814
Connections displayed (default: 10).
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| Topological Polar Surface Area | 89.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-acetyl-2-amino-4-hydroxyindeno[1,2-b]oxet-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C12H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MFVOGDBQZRUXSR-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.102 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.0 |
| Compound Name | 2-Acetyl-2-amino-4-hydroxyindeno[1,2-b]oxet-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 231.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 231.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 231.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.676559870588235 |
| Inchi | InChI=1S/C12H9NO4/c1-5(14)12(13)9-10(16)8-6(11(9)17-12)3-2-4-7(8)15/h2-4,15H,13H2,1H3 |
| Smiles | CC(=O)C1(C2=C(O1)C3=C(C2=O)C(=CC=C3)O)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chelidonium Majus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dicranostigma Franchetianum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Goniothalamus Cheliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hylomecon Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Papaver Nudicaule (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Stylophorum Diphyllum (Plant) Rel Props:Source_db:cmaup_ingredients