Nereistoxin
PubChem CID: 15402
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Nereistoxin, 1631-58-9, N,N-dimethyldithiolan-4-amine, N,N-Dimethyl-1,2-dithiolan-4-amine, ZU7BQ8TC6K, 1,2-DITHIOLAN-4-AMINE, N,N-DIMETHYL-, BRN 1421129, CHEBI:7521, 4-N,N-dimethylamino-1,2-dithiolane, 4-Dimethylamino-1,2-dithiolan, DTXSID0075104, DSOOGBGKEWZRIH-UHFFFAOYSA-, 5-19-08-00347 (Beilstein Handbook Reference), [1,2]dithiolan-4-yl-dimethyl-amine, 4-(N,N-dimethylamino)-1,2-dithiolane, (1,2)dithiolan-4-yl-dimethyl-amine, UNII-ZU7BQ8TC6K, CHEMBL2285758, DTXCID5035240, SCHEMBL10646903, HY-N10652, AKOS006277671, DA-56111, CS-0622708, Q27107522 |
|---|---|
| Topological Polar Surface Area | 53.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.8 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., A9XFY4, P02710 |
| Iupac Name | N,N-dimethyldithiolan-4-amine |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C5H11NS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSOOGBGKEWZRIH-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.469 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.326 |
| Compound Name | Nereistoxin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.033 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.033 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 149.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2035103999999999 |
| Inchi | InChI=1S/C5H11NS2/c1-6(2)5-3-7-8-4-5/h5H,3-4H2,1-2H3 |
| Smiles | CN(C)C1CSSC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all