Dysidamide F
PubChem CID: 14825941
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dysidamide F, (4S,5S)-4-hydroxy-3,3-dimethyl-5-((2S)-3,3,3-trichloro-2-methylpropyl)pyrrolidin-2-one, (4S,5S)-4-hydroxy-3,3-dimethyl-5-[(2S)-3,3,3-trichloro-2-methylpropyl]pyrrolidin-2-one, N-Desacyldysidamide |
|---|---|
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,5S)-4-hydroxy-3,3-dimethyl-5-[(2S)-3,3,3-trichloro-2-methylpropyl]pyrrolidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C10H16Cl3NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WXVMITZTZFBSBV-LYFYHCNISA-N |
| Fcsp3 | 0.9 |
| Logs | -2.298 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.316 |
| Compound Name | Dysidamide F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 287.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.025 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 288.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1701323999999995 |
| Inchi | InChI=1S/C10H16Cl3NO2/c1-5(10(11,12)13)4-6-7(15)9(2,3)8(16)14-6/h5-7,15H,4H2,1-3H3,(H,14,16)/t5-,6-,7+/m0/s1 |
| Smiles | C[C@@H](C[C@H]1[C@H](C(C(=O)N1)(C)C)O)C(Cl)(Cl)Cl |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Leptophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Alibertia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Dorstenia Barnimiana (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oxybasis Urbica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rubia Ustulata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Sedum Forsterianum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Uvaria Mocoli (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Verbascum Georgicum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Viguiera Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Zieria Chevalieri (Plant) Rel Props:Source_db:cmaup_ingredients