Benzo(F)Quinoline
PubChem CID: 6796
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| Compound Synonyms | Benzo[f]quinoline, 5,6-BENZOQUINOLINE, 85-02-9, Benzo(f)quinoline, 1-Azaphenanthrene, beta-Naphthoquinoline, .beta.-Naphthoquinoline, Benzo(f)-quinoline, 5,6-Benzo(f)quinoline, CCRIS 800, b-Naphthoquinoline, NSC 9850, EINECS 201-582-0, UNII-525476DTML, BRN 0120261, NAPHTHOPYRIDINE, DTXSID2024585, 525476DTML, 5,6-Benzo[f]quinoline, BENZO(F)QUINOLONE, NSC-9850, DTXCID804585, BENZO(F)QUINOLINE [MI], 5-20-08-00220 (Beilstein Handbook Reference), CAS-85-02-9, SMR000304535, azaphenanthrene, 1Azaphenanthrene, benzo(f)chinolin, 5,6Benzoquinoline, betaNaphthoquinoline, MFCD00022235, Benzoquinoline, (f), 5,6Benzo(f)quinoline, Maybridge1_004106, SCHEMBL50649, MLS000720006, MLS002415715, CHEMBL1565107, HMS553C16, NSC9850, HMS2593G11, HMS3381C14, Tox21_201772, Tox21_303188, BBL002307, CCG-51463, STK325158, AKOS003342511, NCGC00091878-01, NCGC00091878-02, NCGC00257031-01, NCGC00259321-01, AS-56840, DB-056839, B0087, CS-0155780, EU-0033365, NS00038739, SR-01000640759-1, Q27260966, 201-582-0 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08684, P08659, P10145, P51449, Q03431, P10275, Q16236 |
| Iupac Name | benzo[f]quinoline |
| Prediction Hob | 1.0 |
| Target Id | NPT109 |
| Xlogp | 3.5 |
| Molecular Formula | C13H9N |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCAUQPZEWLULFJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.227 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.121 |
| Compound Name | Benzo(F)Quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 179.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8520763999999996 |
| Inchi | InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H |
| Smiles | C1=CC=C2C(=C1)C=CC3=C2C=CC=N3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all