11-Indolo[3,2-b]quinolin-10-yl-5-methylindolo[3,2-b]quinoline
PubChem CID: 9981100
Connections displayed (default: 10).
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| Topological Polar Surface Area | 35.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 786.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-indolo[3,2-b]quinolin-10-yl-5-methylindolo[3,2-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C31H20N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAUYVWYMLDVLOW-UHFFFAOYSA-N |
| Fcsp3 | 0.032258064516129 |
| Logs | -8.263 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.221 |
| Compound Name | 11-Indolo[3,2-b]quinolin-10-yl-5-methylindolo[3,2-b]quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 448.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 448.169 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 448.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.765636942857144 |
| Inchi | InChI=1S/C31H20N4/c1-34-25-16-8-5-13-22(25)31(29-30(34)20-11-3-7-15-24(20)33-29)35-26-17-9-4-12-21(26)28-27(35)18-19-10-2-6-14-23(19)32-28/h2-18H,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=C3C1=C4C=CC=CC4=N3)N5C6=CC=CC=C6C7=NC8=CC=CC=C8C=C75 |
| 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