6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 2-methyl-
PubChem CID: 11579549
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| Compound Synonyms | CHEMBL506388, SCHEMBL12762813, 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 2-methyl- |
|---|---|
| Topological Polar Surface Area | 34.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H10N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKIVKCXKGXYVNA-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.738 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.022 |
| Compound Name | 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 2-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.917477377777777 |
| Inchi | InChI=1S/C15H10N2O/c1-9-8-11-10-4-2-3-5-13(10)17-14(18)7-6-12(16-9)15(11)17/h2-8H,1H3 |
| Smiles | CC1=CC2=C3C(=N1)C=CC(=O)N3C4=CC=CC=C42 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiloperone (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all