3-methyl-1H-benzo[f]indole-4,9-dione
PubChem CID: 15503175
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 49.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-1H-benzo[f]indole-4,9-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Is Pains | True |
| Molecular Formula | C13H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DWOTVFRUZKCMJB-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3-methyl-1H-benzo[f]indole-4,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 211.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 211.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.138814 |
| Inchi | InChI=1S/C13H9NO2/c1-7-6-14-11-10(7)12(15)8-4-2-3-5-9(8)13(11)16/h2-6,14H,1H3 |
| Smiles | CC1=CNC2=C1C(=O)C3=CC=CC=C3C2=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Vilmorini (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mortonia Palmeri (Plant) Rel Props:Source_db:cmaup_ingredients