2-(hydroxymethyl)-10-methoxy-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
PubChem CID: 137653733
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| Compound Synonyms | CHEMBL4093044 |
|---|---|
| Topological Polar Surface Area | 65.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-10-methoxy-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C17H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOGGXNPZSSLLLQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.014 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.389 |
| Compound Name | 2-(hydroxymethyl)-10-methoxy-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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5554666545454547 |
| Inchi | InChI=1S/C17H16N2O3/c1-22-11-2-3-12-13-4-5-19-15(17(13)18-14(12)8-11)6-10(9-20)7-16(19)21/h2-3,6-8,18,20H,4-5,9H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(N2)C4=CC(=CC(=O)N4CC3)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients