(11cS)-1,2,5,6,7,11c-hexahydroindolizino[7,8-b]indol-3-one
PubChem CID: 145977137
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| Compound Synonyms | CHEMBL4206292 |
|---|---|
| Topological Polar Surface Area | 36.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (11cS)-1,2,5,6,7,11c-hexahydroindolizino[7,8-b]indol-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C14H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RNABACPUNNGDFF-LBPRGKRZSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.277 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.163 |
| Compound Name | (11cS)-1,2,5,6,7,11c-hexahydroindolizino[7,8-b]indol-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.111 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 226.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5859945058823524 |
| Inchi | InChI=1S/C14H14N2O/c17-13-6-5-12-14-9-3-1-2-4-10(9)15-11(14)7-8-16(12)13/h1-4,12,15H,5-8H2/t12-/m0/s1 |
| Smiles | C1CC(=O)N2[C@@H]1C3=C(CC2)NC4=CC=CC=C43 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients