5-Methylindolo[3,2-b]quinoline-11-carboxylic acid
PubChem CID: 10016283
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL3290155 |
|---|---|
| Topological Polar Surface Area | 55.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methylindolo[3,2-b]quinoline-11-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPPRYNPDEDQLAA-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -3.671 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.864 |
| Compound Name | 5-Methylindolo[3,2-b]quinoline-11-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.11467661904762 |
| Inchi | InChI=1S/C17H12N2O2/c1-19-13-9-5-3-7-11(13)14(17(20)21)15-16(19)10-6-2-4-8-12(10)18-15/h2-9H,1H3,(H,20,21) |
| Smiles | CN1C2=CC=CC=C2C(=C3C1=C4C=CC=CC4=N3)C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients