(7Br,10aR)-2,3,4,7b,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1628670 | |
| PubChem: | 10130594 | |
| IUPAC: | (11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene | |
| Standard InChI: | InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1 | |
| Standard InChI Key: | XOSKJKGKWRIMGV-DGCLKSJQSA-N | |
| SMILES: | C1C[C@@H]2[C@H](C1)c1c3N2CCNCc3ccc1 | |
Molecular propeties
| ||
| AlogP: | 2.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 214.15 | |
| Topological polar surface area: | 15.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.571 | |
| Number of carbons: | 14 | |