6-Methoxyisatin
PubChem CID: 10374972
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-Methoxyisatin, 52351-75-4, 6-Methoxyindoline-2,3-dione, 6-methoxy-1H-indole-2,3-dione, 6-Methoxy-2,3-dioxyindole, 6-methoxy-2,3-dihydro-1H-indole-2,3-dione, MFCD00667731, DTXSID90438853, 6-Methoxylisatin, 6-methoxy-isatin, 6-Methoxyindole-2,3-dione, AQ-143/11651884, SCHEMBL1249793, DTXCID50389675, MOJHIZLOKWRPIS-UHFFFAOYSA-N, BCP22596, AKOS002367693, CS-W001182, FS-2215, SB66081, AC-27953, FM140675, SY015998, EN300-36225, SR-01000402525, SR-01000402525-1, F0914-0515, Z362600670, 809-425-3 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-1H-indole-2,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C9H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOJHIZLOKWRPIS-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.384 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.493 |
| Compound Name | 6-Methoxyisatin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.043 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5982242615384612 |
| Inchi | InChI=1S/C9H7NO3/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12) |
| Smiles | COC1=CC2=C(C=C1)C(=O)C(=O)N2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andropogon Jwarancusa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Caesalpinia Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Clathrotropis Brachypetala (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dalbergia Nigra (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dioscorea Tokoro (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euphorbia Sapinii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Kalmia Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Kopsia Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Petrosimonia Monandra (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Senecio Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Uvaria Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients