3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 10-hydroxy-3-methoxy-
PubChem CID: 158930
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| Compound Synonyms | 3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 10-hydroxy-3-methoxy-, 86293-42-7, DTXSID00235476, CHEMBL509455, DTXCID00157967 |
|---|---|
| Topological Polar Surface Area | 70.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 634.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-hydroxy-6-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10(15),11,13-hexaene-2,7-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Is Pains | False |
| Molecular Formula | C15H10N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MZQIGQOYXJHSQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 3H-Indolo(3,2,1-de)(1,5)naphthyridine-2,6-dione, 10-hydroxy-3-methoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.064 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 282.064 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.250390523809523 |
| Inchi | InChI=1S/C15H10N2O4/c1-21-17-12-4-5-13(19)16-11-3-2-8(18)6-9(11)10(15(12)16)7-14(17)20/h2-7,18H,1H3 |
| Smiles | CON1C2=C3C(=CC1=O)C4=C(N3C(=O)C=C2)C=CC(=C4)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Simaba Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients