1,2,8-Trimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID: 5319783
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| Topological Polar Surface Area | 19.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,8-trimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole |
| Prediction Hob | 0.0 |
| Xlogp | 2.7 |
| Molecular Formula | C14H18N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOHJIOAWGLUAQU-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -1.959 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.584 |
| Compound Name | 1,2,8-Trimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 214.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2985844 |
| Inchi | InChI=1S/C14H18N2/c1-9-5-4-6-11-12-7-8-16(3)10(2)14(12)15-13(9)11/h4-6,10,15H,7-8H2,1-3H3 |
| Smiles | CC1C2=C(CCN1C)C3=CC=CC(=C3N2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Source_db:cmaup_ingredients