4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-1-carbaldehyde
PubChem CID: 5320028
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| Topological Polar Surface Area | 53.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 523.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C16H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BXGBDTXJOUEMMI-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.33 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.568 |
| Compound Name | 4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-1-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.09 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7126608 |
| Inchi | InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20)18-8-7-12-11-3-1-2-4-13(11)17-15(12)16(10)18/h1-6,9,17H,7-8H2 |
| Smiles | C1CN2C(=O)C=CC(=C2C3=C1C4=CC=CC=C4N3)C=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nauclea Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients