10-N-Benzylquindoline
PubChem CID: 10638541
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| Compound Synonyms | 10-N-Benzylquindoline, CHEMBL522779 |
|---|---|
| Topological Polar Surface Area | 17.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-benzylindolo[3,2-b]quinoline |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Is Pains | False |
| Molecular Formula | C22H16N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YELAFIFOXLGJKW-UHFFFAOYSA-N |
| Fcsp3 | 0.0454545454545454 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 10-N-Benzylquindoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 308.131 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.661847466666667 |
| Inchi | InChI=1S/C22H16N2/c1-2-8-16(9-3-1)15-24-20-13-7-5-11-18(20)22-21(24)14-17-10-4-6-12-19(17)23-22/h1-14H,15H2 |
| Smiles | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NC5=CC=CC=C5C=C42 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients