3-hydroxy-2-(1-hydroxyethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
PubChem CID: 10379817
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| Topological Polar Surface Area | 76.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-(1-hydroxyethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C17H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LKRLGESJYWCNLY-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.165 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.465 |
| Compound Name | 3-hydroxy-2-(1-hydroxyethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.116 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0183666545454555 |
| Inchi | InChI=1S/C17H16N2O3/c1-9(20)12-8-14-15-11(6-7-19(14)17(22)16(12)21)10-4-2-3-5-13(10)18-15/h2-5,8-9,18,20-21H,6-7H2,1H3 |
| Smiles | CC(C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nauclea Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients