5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID: 366721
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| Compound Synonyms | NSC635438, CHEMBL2001717, CHEBI:184393, 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one, NSC-635438, NCI60_011807, PD011288, 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxo-ethyl]indolin-2-one, 2-(5,7-Dichloro-2,3-dihydroxy-3H-indol-3-yl)-1-(3-nitrophenyl)ethan-1-one, 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one, 5,7-Dichloro-3-hydroxy-3-(2-(3-(hydroxy(oxido)amino)phenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | CGVKNDAEXKLQAY-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Cyananin |
| Heavy Atom Count | 25.0 |
| Compound Name | 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one |
| Description | Present in cultivated red potatoes (Solanum phureja). Cyananin is found in potato. |
| Exact Mass | 379.997 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 379.997 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 583.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 381.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C16H10Cl2N2O5/c17-9-5-11-14(12(18)6-9)19-15(22)16(11,23)7-13(21)8-2-1-3-10(4-8)20(24)25/h1-6,23H,7H2,(H,19,22) |
| Smiles | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H10Cl2N2O5 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all