Carbazoquinocin A
PubChem CID: 10613797
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| Compound Synonyms | Carbazoquinocin A, 164322-78-5, 2-methyl-1-(3-methylpentyl)-9H-carbazole-3,4-dione, CHEBI:199524, DTXSID901189791, 2-Methyl-1-[(3S)-3-methylpentyl]-3H-carbazole-3,4(9H)-dione |
|---|---|
| Topological Polar Surface Area | 49.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-methyl-1-[(3S)-3-methylpentyl]-9H-carbazole-3,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H21NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HRRLXMQMBJABIM-NSHDSACASA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.544 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.731 |
| Compound Name | Carbazoquinocin A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 295.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.157 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 295.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.387595672727272 |
| Inchi | InChI=1S/C19H21NO2/c1-4-11(2)9-10-13-12(3)18(21)19(22)16-14-7-5-6-8-15(14)20-17(13)16/h5-8,11,20H,4,9-10H2,1-3H3/t11-/m0/s1 |
| Smiles | CC[C@H](C)CCC1=C(C(=O)C(=O)C2=C1NC3=CC=CC=C32)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