2-(((6-bromo-1H-indol-3-yl)methyl)thio)ethanamine
PubChem CID: 23425272
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| Compound Synonyms | 99102-23-5, 2-(((6-bromo-1H-indol-3-yl)methyl)thio)ethanamine, DTXSID90633982, 2-{[(6-Bromo-1H-indol-3-yl)methyl]sulfanyl}ethan-1-amine |
|---|---|
| Topological Polar Surface Area | 67.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(6-bromo-1H-indol-3-yl)methylsulfanyl]ethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H13BrN2S |
| Prediction Swissadme | 1.0 |
| Inchi Key | OHXLINWEZJYSRC-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -2.489 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.659 |
| Compound Name | 2-(((6-bromo-1H-indol-3-yl)methyl)thio)ethanamine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 283.998 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.998 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 285.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2058019999999994 |
| Inchi | InChI=1S/C11H13BrN2S/c12-9-1-2-10-8(7-15-4-3-13)6-14-11(10)5-9/h1-2,5-6,14H,3-4,7,13H2 |
| Smiles | C1=CC2=C(C=C1Br)NC=C2CSCCN |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrastis Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients