Trichocereine
PubChem CID: 420418
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 529-91-9, Trichocereine, 54547-01-2, N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine, CHEMBL2009417, DTXSID90329454, NCI60_000553 |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C13H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BTSKBPJWJZFTPQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -6.94 |
| Rotatable Bond Count | 6.0 |
| Logd | 6.675 |
| Compound Name | Trichocereine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 239.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 239.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.297729470588235 |
| Inchi | InChI=1S/C13H21NO3/c1-14(2)7-6-10-8-11(15-3)13(17-5)12(9-10)16-4/h8-9H,6-7H2,1-5H3 |
| Smiles | CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemsleya Pengxianensis (Plant) Rel Props:Source_db:cmaup_ingredients