Tjipanazole D
PubChem CID: 10087661
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| Compound Synonyms | Tjipanazole D, 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole, 3,8-dichloro-11,12-dihydroindolo(2,3-a)carbazole, SCHEMBL16433002, CHEBI:212560, DTXSID701046917, 139083-25-3 |
|---|---|
| Topological Polar Surface Area | 31.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C18H10Cl2N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NNZIVRYPHRMPQM-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.808 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.431 |
| Compound Name | Tjipanazole D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.022 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 325.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.378254872727274 |
| Inchi | InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H |
| Smiles | C1=CC2=C(C=C1Cl)C3=C(N2)C4=C(C=C3)C5=C(N4)C=CC(=C5)Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Annulatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vernonia Guineensis (Plant) Rel Props:Source_db:cmaup_ingredients