2-Aminooxyphenol
PubChem CID: 21226150
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| Compound Synonyms | SCHEMBL5557 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | NOcccccc6O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenoxy compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 87.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminooxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H7NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UQRYMDNYLRCADY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | catecholamine |
| Esol Class | Very soluble |
| Functional Groups | cO, cON |
| Compound Name | 2-Aminooxyphenol |
| Exact Mass | 125.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 125.13 |
| 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/C6H7NO2/c7-9-6-4-2-1-3-5(6)8/h1-4,8H,7H2 |
| Smiles | C1=CC=C(C(=C1)O)ON |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Nilotica (Plant) Rel Props:Reference:ISBN:9789327275590 - 2. Outgoing r'ship
FOUND_INto/from Musa Paradisiaca (Plant) Rel Props:Reference:ISBN:9788171360536