1,2,3,4-Benzenetetrol
PubChem CID: 588355
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| Compound Synonyms | 1,2,3,4-Benzenetetrol, benzene-1,2,3,4-tetrol, 642-96-6, DTXSID40343226, trihydroxyphenol, 1,2,3,4-tetrahydroxybenzene, 3,4-dihydroxy-catechol, Benzene-1,2,3,4-tetraol, 1,2,3,4-Benzenetetrol #, SCHEMBL338346, DTXCID00294306, CHEBI:193965, EN300-1869021, 980-791-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OccO)cccc6O))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzenetriols and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzene-1,2,3,4-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H6O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | VERMEZLHWFHDLK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2,3,4-tetrahydroxy benzene |
| Esol Class | Very soluble |
| Functional Groups | cO |
| Compound Name | 1,2,3,4-Benzenetetrol |
| Exact Mass | 142.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 142.11 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,7-10H |
| Smiles | C1=CC(=C(C(=C1O)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
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