Carbazoquinocin B
PubChem CID: 9926662
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| Compound Synonyms | Carbazoquinocin B, 2-methyl-1-(5-methylhexyl)-9H-carbazole-3,4-dione, CHEBI:203746 |
|---|---|
| Topological Polar Surface Area | 49.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-1-(5-methylhexyl)-9H-carbazole-3,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XSQPQDQQJLUPET-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.911 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.397 |
| Compound Name | Carbazoquinocin B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 309.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 309.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.735601017391304 |
| Inchi | InChI=1S/C20H23NO2/c1-12(2)8-4-5-9-14-13(3)19(22)20(23)17-15-10-6-7-11-16(15)21-18(14)17/h6-7,10-12,21H,4-5,8-9H2,1-3H3 |
| Smiles | CC1=C(C2=C(C3=CC=CC=C3N2)C(=O)C1=O)CCCCC(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leontice Smirnowii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Perennis (Plant) Rel Props:Source_db:cmaup_ingredients