6-Cyano-5-Methoxy-12-Methylindolo[2,3-A]Carbazole
PubChem CID: 131447
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| Compound Synonyms | 6-Cyano-5-methoxy-12-methylindolo(2,3-a)carbazole, 131926-77-7, 5-methoxy-12-methyl-11H-indolo[2,3-a]carbazole-6-carbonitrile, DTXSID20157267, CMMC, 11,12-Dihydro-6-methoxy-11-methylindolo(2,3-a)carbazole-5-carbonitrile, 6-Cyano-5-methoxy-12-methylindolo[2,3-a]carbazole, Indolo(2,3-a)carbazole-5-carbonitrile, 11,12-dihydro-6-methoxy-11-methyl-, 5-methoxy-12-methyl-11H-indolo(2,3-a)carbazole-6-carbonitrile, CHEMBL596317, DTXCID6079758, 5-cyano-6-methoxy-11-methylindolo[2,3-a]carbazole |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-12-methyl-11H-indolo[2,3-a]carbazole-6-carbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H15N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZBCCAZHJQZKLL-UHFFFAOYSA-N |
| Fcsp3 | 0.0952380952380952 |
| Logs | -7.293 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.036 |
| Compound Name | 6-Cyano-5-Methoxy-12-Methylindolo[2,3-A]Carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.122 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.122 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.212000199999999 |
| Inchi | InChI=1S/C21H15N3O/c1-24-16-10-6-4-8-13(16)18-20(24)19-17(14(11-22)21(18)25-2)12-7-3-5-9-15(12)23-19/h3-10,23H,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C3=C(C(=C4C5=CC=CC=C5NC4=C31)C#N)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ajuga Nipponensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eriobotrya Deflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Grevillea Robusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Neurolaena Lobata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all