Cibulins
PubChem CID: 20514207
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| Compound Synonyms | Cibulins, propanesulfenic acid, 1-hydroxysulfanylpropane, propane-1-SO-thioperoxol, propanesulfanol, thibutol, CHEBI:91018, Q27163020 |
|---|---|
| Topological Polar Surface Area | 45.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 16.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxysulfanylpropane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C3H8OS |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYNBNVDYPNEWHG-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Cibulins |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 92.0296 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 92.0296 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 92.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8275105999999999 |
| Inchi | InChI=1S/C3H8OS/c1-2-3-5-4/h4H,2-3H2,1H3 |
| Smiles | CCCSO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mimosa Pudica (Plant) Rel Props:Source_db:cmaup_ingredients