(4aS,9aS)-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole
PubChem CID: 92966427
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 15.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZYVJZJFILSIGPS-CMPLNLGQSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Compound Name | (4aS,9aS)-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 188.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 188.27 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aS,9aS)-2-methyl-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.565541657142857 |
| Inchi | InChI=1S/C12H16N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,10,12-13H,6-8H2,1H3/t10-,12+/m0/s1 |
| Smiles | CN1CC[C@@H]2[C@@H](C1)NC3=CC=CC=C23 |
| Xlogp | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C12H16N2 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients