(14S)-14-Methyl-1-(1-pyrrolidinyl)-1-hexadecanone
PubChem CID: 11163114
Connections displayed (default: 10).
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| Compound Synonyms | DTXSID001231882, (14S)-14-Methyl-1-(1-pyrrolidinyl)-1-hexadecanone, 260058-83-1 |
|---|---|
| Topological Polar Surface Area | 20.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (14S)-14-methyl-1-pyrrolidin-1-ylhexadecan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.8 |
| Molecular Formula | C21H41NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRAFLAJRBDTYBS-FQEVSTJZSA-N |
| Fcsp3 | 0.9523809523809524 |
| Logs | -6.351 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.54 |
| Compound Name | (14S)-14-Methyl-1-(1-pyrrolidinyl)-1-hexadecanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 323.319 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.319 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 323.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.763803 |
| Inchi | InChI=1S/C21H41NO/c1-3-20(2)16-12-10-8-6-4-5-7-9-11-13-17-21(23)22-18-14-15-19-22/h20H,3-19H2,1-2H3/t20-/m0/s1 |
| Smiles | CC[C@H](C)CCCCCCCCCCCCC(=O)N1CCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Aquatica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Merremia Quinquefolia (Plant) Rel Props:Source_db:cmaup_ingredients