bis(10H-indolo[3,2-b]quinolin-11-yl)methanone
PubChem CID: 10600127
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL369038, SCHEMBL3123791 |
|---|---|
| Topological Polar Surface Area | 74.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 782.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(10H-indolo[3,2-b]quinolin-11-yl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C31H18N4O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOMINIHNGZWSLU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -8.603 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.697 |
| Compound Name | bis(10H-indolo[3,2-b]quinolin-11-yl)methanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.148 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.62776328888889 |
| Inchi | InChI=1S/C31H18N4O/c36-31(25-17-9-1-5-13-21(17)32-27-19-11-3-7-15-23(19)34-29(25)27)26-18-10-2-6-14-22(18)33-28-20-12-4-8-16-24(20)35-30(26)28/h1-16,34-35H |
| Smiles | C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)C(=O)C5=C6C(=NC7=CC=CC=C75)C8=CC=CC=C8N6 |
| Nring | 8.0 |
| 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