Uvarindole B
PubChem CID: 185373
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| Compound Synonyms | Uvarindole B, 94977-30-7, DTXSID30241702, Phenol, 2,2',2''-1H-indole-1,2,3,5-tetrayltetrakis(methylene))tetrakis-, DTXCID20164193 |
|---|---|
| Topological Polar Surface Area | 85.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 808.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[1,2,3-tris[(2-hydroxyphenyl)methyl]indol-5-yl]methyl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C36H31NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RPTGBZVBGLWEAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | 0.057 |
| Rotatable Bond Count | 8.0 |
| Logd | -1.587 |
| Compound Name | Uvarindole B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 541.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 541.225 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 541.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.286921156097563 |
| Inchi | InChI=1S/C36H31NO4/c38-33-13-5-1-9-25(33)19-24-17-18-31-29(20-24)30(21-26-10-2-6-14-34(26)39)32(22-27-11-3-7-15-35(27)40)37(31)23-28-12-4-8-16-36(28)41/h1-18,20,38-41H,19,21-23H2 |
| Smiles | C1=CC=C(C(=C1)CC2=CC3=C(C=C2)N(C(=C3CC4=CC=CC=C4O)CC5=CC=CC=C5O)CC6=CC=CC=C6O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anabasis Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients