Nicalaterine A
PubChem CID: 54580815
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | nicalaterine A, 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol, 2-(3-ethyl-12H-indolo(2,3-a)quinolizin-5-ium-2-yl)ethanol, CHEMBL1778843 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H19N2O+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | XHUIUBANZNHJEL-UHFFFAOYSA-O |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.296 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.565 |
| Compound Name | Nicalaterine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.15 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 291.15 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 291.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.956136981818181 |
| Inchi | InChI=1S/C19H18N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-7,9,11-12,22H,2,8,10H2,1H3/p+1 |
| Smiles | CCC1=C[N+]2=C(C=C1CCO)C3=C(C=C2)C4=CC=CC=C4N3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all