6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 9-fluoro-
PubChem CID: 11506957
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| Compound Synonyms | fluoro[?]one, CHEMBL505316, SCHEMBL12762814, 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 9-fluoro- |
|---|---|
| Topological Polar Surface Area | 34.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13-fluoro-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 | 2.5 |
| Molecular Formula | C14H7FN2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHFNPWGDQLOQIW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.957 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.711 |
| Compound Name | 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 9-fluoro- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.054 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.753047977777777 |
| Inchi | InChI=1S/C14H7FN2O/c15-8-1-2-9-10-5-6-16-11-3-4-13(18)17(14(10)11)12(9)7-8/h1-7H |
| Smiles | C1=CC2=C(C=C1F)N3C(=O)C=CC4=NC=CC2=C43 |
| 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