6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 4-amino-
PubChem CID: 11708475
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| Compound Synonyms | CHEMBL512765, SCHEMBL12762803, 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 4-amino- |
|---|---|
| Topological Polar Surface Area | 60.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-amino-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 | 1.5 |
| Molecular Formula | C14H9N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOHOZAFKJLJQPY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.499 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.973 |
| Compound Name | 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 4-amino- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 235.075 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.075 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 235.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.243202977777777 |
| Inchi | InChI=1S/C14H9N3O/c15-10-7-12(18)17-11-4-2-1-3-8(11)9-5-6-16-13(10)14(9)17/h1-7H,15H2 |
| Smiles | C1=CC=C2C(=C1)C3=C4N2C(=O)C=C(C4=NC=C3)N |
| 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