2-Phenylquinoline
PubChem CID: 71545
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| Compound Synonyms | 2-Phenylquinoline, 612-96-4, Quinoline, 2-phenyl-, 2-phenyl quinoline, .alpha.-Phenylquinoline, 2-Phenyl-quinoline, MFCD00011568, 612-73-7, EINECS 210-326-7, CHEMBL89786, DTXSID30210115, NSC 118137, Quinoline, phenyl-, 2-Phenyl-chinolin, alpha-Phenylquinoline, PHENYLQUINOLINE, 2-Phenylquinoline, 99%, Bionet2_001089, SCHEMBL44999, MLS001050066, DTXCID30132606, HMS1367B11, HMS2269H10, BCP15702, NSC118137, AKOS005079389, CS-W015372, FP35038, NSC-118137, SB66860, NCGC00247631-01, SMR000112441, SY041603, DB-050457, NS00034635, P2057, A833138, AE-562/43460146, 11T-0830, 210-326-7 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9R1M7, O75164, Q16236, P83916, P38398, Q03431 |
| Iupac Name | 2-phenylquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H11N |
| Prediction Swissadme | 0.0 |
| Inchi Key | FSEXLNMNADBYJU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.996 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.86 |
| Compound Name | 2-Phenylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 205.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 205.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.243612 |
| Inchi | InChI=1S/C15H11N/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H |
| Smiles | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C=C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Galipea Longiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all