Uvarindole D
PubChem CID: 180620
Connections displayed (default: 10).
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| Compound Synonyms | Uvarindole D, 94977-32-9, DTXSID50241704, 3H-Indol-3-one, 1,2-dihydro-1,2,2-tris((2-hydroxyphenyl)methyl)-, DTXCID40164195 |
|---|---|
| Topological Polar Surface Area | 81.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 674.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,2-tris[(2-hydroxyphenyl)methyl]indol-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C29H25NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DSULLBIAVIBUDG-UHFFFAOYSA-N |
| Fcsp3 | 0.1379310344827586 |
| Logs | -4.946 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.704 |
| Compound Name | Uvarindole D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 451.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 451.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 451.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.432389341176472 |
| Inchi | InChI=1S/C29H25NO4/c31-25-14-6-1-9-20(25)17-29(18-21-10-2-7-15-26(21)32)28(34)23-12-4-5-13-24(23)30(29)19-22-11-3-8-16-27(22)33/h1-16,31-33H,17-19H2 |
| Smiles | C1=CC=C(C(=C1)CC2(C(=O)C3=CC=CC=C3N2CC4=CC=CC=C4O)CC5=CC=CC=C5O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients