(7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[B][1,4]diazepino[6,7,1-HI]indole hydrochloride
PubChem CID: 53487910
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 428868-35-3, (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE, (11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene, hydrochloride, WAY163909 HCl, WAY163909-HCl, DTXSID30705359, BCP03509, BCP0726000204, DB-353522, (7bR,10aR)-1,2,3,4,7b,9,10,10a-octahydro-8H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole hydrochloride, (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole--hydrogen chloride (1/1), (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HCL |
|---|---|
| Topological Polar Surface Area | 15.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C14H19ClN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJVFYZZBCUXMDV-LOCPCMAASA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -2.682 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.609 |
| Compound Name | (7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[B][1,4]diazepino[6,7,1-HI]indole hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.124 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.124 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.77 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.375869070588235 |
| Inchi | InChI=1S/C14H18N2.ClH/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, 1H/t11-,13-, /m1./s1 |
| Smiles | C1C[C@H]2[C@@H](C1)N3CCNCC4=C3C2=CC=C4.Cl |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients