1,2,3,5-Tetrahydroxybenzene
PubChem CID: 12
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| Compound Synonyms | 1,2,3,5-Benzenetetrol, 1,2,3,5-tetrahydroxybenzene, 634-94-6, benzene-1,2,3,5-tetrol, 5-hydroxypyrogallol, 6KQM6GV7J9, HYDROXYPHLOROGLUCINOL, UNII-6KQM6GV7J9, CHEBI:16746, DTXSID90212812, N-Benzylglycineethylester, C03743, benzene-1,2,3,5-tetraol, SCHEMBL67497, DTXCID20135303, RDJUHLUBPADHNP-UHFFFAOYSA-N, AKOS006312269, A8823, Q3302015 |
|---|---|
| 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 |
| Np Classifier Class | Oligomeric phloroglucinols (phlorotannins) |
| Deep Smiles | OcccO)ccc6)O))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-4-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzene-1,2,3,5-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H6O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | RDJUHLUBPADHNP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2,3,5-tetrahydroxy benzene |
| Esol Class | Very soluble |
| Functional Groups | cO |
| Compound Name | 1,2,3,5-Tetrahydroxybenzene |
| 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/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H |
| Smiles | C1=C(C=C(C(=C1O)O)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phloroglucinols |
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