Phenol, 2,2',2''-1H-indole-1,2,3-triyltris(methylene))tris-
PubChem CID: 185372
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| Compound Synonyms | Uvarindole A, 94977-29-4, Phenol, 2,2',2''-1H-indole-1,2,3-triyltris(methylene))tris-, DTXSID70241701, DTXCID60164192 |
|---|---|
| Topological Polar Surface Area | 65.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 614.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[1,2-bis[(2-hydroxyphenyl)methyl]indol-3-yl]methyl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 6.4 |
| Molecular Formula | C29H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOZLUMLVLFQWEH-UHFFFAOYSA-N |
| Fcsp3 | 0.1034482758620689 |
| Logs | -4.498 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.21 |
| Compound Name | Phenol, 2,2',2''-1H-indole-1,2,3-triyltris(methylene))tris- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 435.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 435.183 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 435.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.787997145454546 |
| Inchi | InChI=1S/C29H25NO3/c31-27-14-6-1-9-20(27)17-24-23-12-4-5-13-25(23)30(19-22-11-3-8-16-29(22)33)26(24)18-21-10-2-7-15-28(21)32/h1-16,31-33H,17-19H2 |
| Smiles | C1=CC=C(C(=C1)CC2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4O)CC5=CC=CC=C5O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients