4-methoxy-2,3-dihydro-1H-indole-2,3-dione
PubChem CID: 11378819
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-METHOXYINDOLINE-2,3-DIONE, 108937-87-7, 4-methoxy-1H-indole-2,3-dione, 1H-Indole-2,3-dione, 4-methoxy-, 4-methoxyisatin, 4-Methoxy-indoline-2,3-dione, 4-methoxy-2,3-dihydro-1H-indole-2,3-dione, MFCD10000746, SCHEMBL281586, DTXSID80464025, LTERBHLYBWXCPT-UHFFFAOYSA-N, AKOS006302637, SB64319, AS-35463, DB-332410, CS-0172645, 2,3-Dihydro-4-methoxy-1H-indole-2,3-dione, EN300-93538, Z1198272466, 830-052-7 |
|---|---|
| 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 | 4-methoxy-1H-indole-2,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C9H7NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTERBHLYBWXCPT-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.006 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.179 |
| Compound Name | 4-methoxy-2,3-dihydro-1H-indole-2,3-dione |
| 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 | -1.6486242615384614 |
| Inchi | InChI=1S/C9H7NO3/c1-13-6-4-2-3-5-7(6)8(11)9(12)10-5/h2-4H,1H3,(H,10,11,12) |
| Smiles | COC1=CC=CC2=C1C(=O)C(=O)N2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients