1,2-Dimethoxy-12-Methyl-[1,3]Benzodioxolo[5,6-C]Phenanthridin-12-Ium;Hydroxide
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1971693 | |
| PubChem: | 5351594 | |
| IUPAC: | 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium;hydroxide | |
| Standard InChI: | InChI=1S/C21H18NO4.H2O/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H2/q+1;/p-1 | |
| Standard InChI Key: | YZYNINHQZLUUAW-UHFFFAOYSA-M | |
| SMILES: | COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2.[OH-] | |
Molecular propeties
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| AlogP: | 3.72 | |
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| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 348.12 | |
| Topological polar surface area: | 41.8 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.19 | |
| Number of carbons: | 21 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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