Malasseziazole A
PubChem CID: 10131461
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| Compound Synonyms | Malasseziazole A, 2-(5,11-dihydroindolo[3,2-b]carbazol-12-yl)-2-oxoacetic acid, 2-(5h,11H-indolo(3,2-b)carbazol-6-yl)-2-oxoacetate, 2-{5h,11H-indolo[3,2-b]carbazol-6-yl}-2-oxoacetate, 2-(5,11-dihydroindolo(3,2-b)carbazol-12-yl)-2-oxoacetic acid, Malabetaeziazole A, CHEBI:204507, 454222-43-6 |
|---|---|
| Topological Polar Surface Area | 86.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 579.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5,11-dihydroindolo[3,2-b]carbazol-12-yl)-2-oxoacetic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C20H12N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHEPTQIRTYUHFN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.292 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.16 |
| Compound Name | Malasseziazole A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.085 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0194274000000005 |
| Inchi | InChI=1S/C20H12N2O3/c23-19(20(24)25)17-16-11-6-2-4-8-14(11)21-15(16)9-12-10-5-1-3-7-13(10)22-18(12)17/h1-9,21-22H,(H,24,25) |
| Smiles | C1=CC=C2C(=C1)C3=CC4=C(C5=CC=CC=C5N4)C(=C3N2)C(=O)C(=O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Frangula Alnus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Clevelandii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients