5,6-Dibromo-N,N-Dimethyltryptamine
PubChem CID: 360251
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| Compound Synonyms | 5,6-Dibromo-N,N-dimethyltryptamine, 5,6-Dibromodimethyltryptamine, 72853-80-6, NSC-622271, UNII-QTA0HT8VX3, QTA0HT8VX3, 2-(5,6-dibromo-1H-indol-3-yl)-N,N-dimethylethanamine, 1H-indole-3-ethanamine, 5,6-dibromo-N,N-dimethyl-, NSC622271, 5,N-dimethyltryptamine, SCHEMBL517481, CHEMBL256339, 5,6-dibromo-N,N-dimethyl-tryptamine, Q27287486, Z3664736236 |
|---|---|
| Topological Polar Surface Area | 19.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P25929, P25101 |
| Iupac Name | 2-(5,6-dibromo-1H-indol-3-yl)-N,N-dimethylethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C12H14Br2N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQUXASLSQLXGHJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.779 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.133 |
| Compound Name | 5,6-Dibromo-N,N-Dimethyltryptamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 345.95 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.952 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 346.06 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.553759199999998 |
| Inchi | InChI=1S/C12H14Br2N2/c1-16(2)4-3-8-7-15-12-6-11(14)10(13)5-9(8)12/h5-7,15H,3-4H2,1-2H3 |
| Smiles | CN(C)CCC1=CNC2=CC(=C(C=C21)Br)Br |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bryopsis Pennata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all