Carbazoquinocin F
PubChem CID: 10019979
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| Compound Synonyms | Carbazoquinocin F, 2-methyl-1-(7-methyloctyl)-9H-carbazole-3,4-dione, 164177-50-8, CHEBI:213862 |
|---|---|
| Topological Polar Surface Area | 49.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-1-(7-methyloctyl)-9H-carbazole-3,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C22H27NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBDGVHQHKDZEOI-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.87 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.704 |
| Compound Name | Carbazoquinocin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 337.204 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 337.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.4347706 |
| Inchi | InChI=1S/C22H27NO2/c1-14(2)10-6-4-5-7-11-16-15(3)21(24)22(25)19-17-12-8-9-13-18(17)23-20(16)19/h8-9,12-14,23H,4-7,10-11H2,1-3H3 |
| Smiles | CC1=C(C2=C(C3=CC=CC=C3N2)C(=O)C1=O)CCCCCCC(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