6-Cyano-5-Methoxyindolo(2,3-A)Carbazole
PubChem CID: 131448
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| Compound Synonyms | 131926-78-8, 5-methoxy-11,12-dihydroindolo[2,3-a]carbazole-6-carbonitrile, 6-Cyano-5-methoxyindolo(2,3-a)carbazole, 6-cyano-5-methoxyindolo[2,3-a]carbazole, 6-Methoxy-11,12-dihydroindolo[2,3-a]carbazole-5-carbonitrile, CMIC, Indolo(2,3-a)carbazole-5-carbonitrile, 11,12-dihydro-6-methoxy-, 5-methoxy-11,12-dihydroindolo(2,3-a)carbazole-6-carbonitrile, CHEMBL596128, DTXSID00927400 |
|---|---|
| Topological Polar Surface Area | 64.599 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 542.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-11,12-dihydroindolo[2,3-a]carbazole-6-carbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C20H13N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADLSFYJDHWUKFP-UHFFFAOYSA-N |
| Fcsp3 | 0.05 |
| Logs | -6.994 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.887 |
| Compound Name | 6-Cyano-5-Methoxyindolo(2,3-A)Carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 311.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 311.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.181199466666666 |
| Inchi | InChI=1S/C20H13N3O/c1-24-20-13(10-21)16-11-6-2-4-8-14(11)22-18(16)19-17(20)12-7-3-5-9-15(12)23-19/h2-9,22-23H,1H3 |
| Smiles | COC1=C2C3=CC=CC=C3NC2=C4C(=C1C#N)C5=CC=CC=C5N4 |
| 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