(2Z)-2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one
PubChem CID: 11225588
Connections displayed (default: 10).
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| Topological Polar Surface Area | 82.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z)-2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C32H18N4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQRSGRCNDVKDRJ-JOKXDOCYSA-N |
| Fcsp3 | 0.0 |
| Logs | -8.342 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.702 |
| Compound Name | (2Z)-2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.143 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.143 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 490.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -7.572904821052633 |
| Inchi | InChI=1S/C32H18N4O2/c37-31-19-11-3-7-15-23(19)35-29(31)27-25(17-9-1-5-13-21(17)33-27)26-18-10-2-6-14-22(18)34-28(26)30-32(38)20-12-4-8-16-24(20)36-30/h1-16,35-36H/b29-27-,30-28+ |
| Smiles | C1=CC=C2C(=C1)C(=O)/C(=C\3/C(=C4C=CC=CC4=N3)C\5=C6C=CC=CC6=N/C5=C\7/C(=O)C8=CC=CC=C8N7)/N2 |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients