Solsodomine B
PubChem CID: 44575445
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| Compound Synonyms | Solsodomine B, CHEMBL503458 |
|---|---|
| Topological Polar Surface Area | 48.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Is Pains | False |
| Molecular Formula | C9H15N3O |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWAHPDLRHBCVEU-UHFFFAOYSA-N |
| Fcsp3 | 0.4444444444444444 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Solsodomine B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 181.122 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 181.122 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 181.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8585971846153848 |
| Inchi | InChI=1S/C9H15N3O/c1-10-4-2-6-12(8-13)9-3-5-11-7-9/h3,5,7-8,10-11H,2,4,6H2,1H3 |
| Smiles | CNCCCN(C=O)C1=CNC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Sodomeum (Plant) Rel Props:Source_db:cmaup_ingredients