9-(Methylsulfinyl)nonamide
PubChem CID: 121232647
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| Compound Synonyms | 9-(methylsulfinyl)nonamide, 8-MeSO-octyl-CONH2, 9-(methanesulfinyl)nonanamide, CHEBI:91157, Q27163093 |
|---|---|
| Topological Polar Surface Area | 79.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methylsulfinylnonanamide |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C10H21NO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | VMPLEBOKYLVHTO-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 9-(Methylsulfinyl)nonamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 219.129 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 219.129 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 219.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1477699999999995 |
| Inchi | InChI=1S/C10H21NO2S/c1-14(13)9-7-5-3-2-4-6-8-10(11)12/h2-9H2,1H3,(H2,11,12) |
| Smiles | CS(=O)CCCCCCCCC(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arabidopsis Thaliana (Plant) Rel Props:Source_db:cmaup_ingredients