Remerin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL483825 | |
| PubChem: | 119204 | |
| IUPAC: | (12R)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene | |
| Standard InChI: | InChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3/t14-/m1/s1 | |
| Standard InChI Key: | JCTYWRARKVGOBK-CQSZACIVSA-N | |
| SMILES: | CN1CCc2c3[C@H]1Cc1ccccc1c3c1c(c2)OCO1 | |
Molecular propeties
| ||
| AlogP: | 3.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 279.13 | |
| Topological polar surface area: | 21.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 18 | |