5-Methoxy-2,3-dihydro-1-azabenzanthrone
PubChem CID: 14364356
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| Compound Synonyms | CHEMBL1651054, BDBM50358009, 5-Methoxy-2,3-dihydro-1-azabenzanthrone, 5-methoxy-2,3-dihydro-7h-dibenzo[de,h]quinolin-7-one |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-8-one |
| Prediction Hob | 1.0 |
| Target Id | NPT261 |
| Xlogp | 1.9 |
| Molecular Formula | C17H13NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMSXFIWLWPHHRL-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -5.311 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.394 |
| Compound Name | 5-Methoxy-2,3-dihydro-1-azabenzanthrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.095 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6018352 |
| Inchi | InChI=1S/C17H13NO2/c1-20-11-8-10-6-7-18-16-12-4-2-3-5-13(12)17(19)14(9-11)15(10)16/h2-5,8-9H,6-7H2,1H3 |
| Smiles | COC1=CC2=C3C(=C1)C(=O)C4=CC=CC=C4C3=NCC2 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sciadotenia Toxifera (Plant) Rel Props:Source_db:cmaup_ingredients