3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 3-methoxy-
PubChem CID: 156537
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| Compound Synonyms | 3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 3-methoxy-, 74991-92-7, C15H10N2O3, 3-methoxycanthin-2,6-dione, CHEMBL454831, DTXSID80225951 |
|---|---|
| Topological Polar Surface Area | 49.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C15H10N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGZZRRUKOPHKBA-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.187 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.139 |
| Compound Name | 3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 3-methoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.069 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 266.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.406187199999999 |
| Inchi | InChI=1S/C15H10N2O3/c1-20-17-12-6-7-13(18)16-11-5-3-2-4-9(11)10(15(12)16)8-14(17)19/h2-8H,1H3 |
| Smiles | CON1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Simaba Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients