| Formula | C20H19NO5 |
| MW | 353.37 |
| InChIKey | ZRBGFWOXAQPDTH-UHFFFAOYSA-N |
| pubchem_compound_cid | 24974 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 568 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 2 |
| pubchem_cactvs_subskeys | AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YIEAAAAAAEixQAAAHgAACAAADAzhmAcyDoMABgCAAiRCQACCCAAgIgAIiAAOjIgdNyKEsRukcCpnwBGOuAfw0LIOoAABAAAYQABAAAIAADCAAAAAAAAAAA== |
| pubchem_iupac_inchi | InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3 |
| pubchem_iupac_inchikey | ZRBGFWOXAQPDTH-UHFFFAOYSA-N |
| pubchem_xlogp3_aa | 3 |
| pubchem_exact_mass | 353.126323 |
| pubchem_molecular_formula | C20H19NO5 |
| pubchem_molecular_weight | 353.36856 |
| pubchem_openeye_can_smiles | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2O)OCO5)OC |
| pubchem_openeye_iso_smiles | COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2O)OCO5)OC |
| pubchem_cactvs_tpsa | 60.4 |
| pubchem_monoisotopic_weight | 353.126323 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 26 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 1 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_coordinate_type | 1 |
| pubchem_bondannotations | 9 1 3
11 12 8
11 16 8
12 17 8
13 14 8
13 18 8
14 21 8
16 19 8
17 20 8
18 22 8
19 20 8
21 23 8
22 23 8 |
| pubchem_xlogp3 | 0 |
