Goshuyuamide I
PubChem CID: 5317827
Connections displayed (default: 10).
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| Compound Synonyms | Goshuyuamide I, 126223-62-9, goshuyamide I, HY-N12316, CS-0897624 |
|---|---|
| Topological Polar Surface Area | 48.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-(methylamino)phenyl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H19N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWTCEIFXSZZCBO-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.426 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.182 |
| Compound Name | Goshuyuamide I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.153 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 305.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.292270895652173 |
| Inchi | InChI=1S/C19H19N3O/c1-20-16-8-4-3-7-15(16)19(23)22-11-10-14-13-6-2-5-9-17(13)21-18(14)12-22/h2-9,20-21H,10-12H2,1H3 |
| Smiles | CNC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tetradium Ruticarpum (Plant) Rel Props:Source_db:cmaup_ingredients