1h-Cycloprop[e]azulen-7-ol
PubChem CID: 129761261
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1h-cycloprop[e]azulen-7-ol, SCHEMBL20774455 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC2C2CC2C1 |
| Deep Smiles | Occcc-c5cCc3ccc8 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CC2CCCC2C2CC2C1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 189.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-cyclopropa[h]azulen-7-ol |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8O |
| Scaffold Graph Node Bond Level | c1cc2cccc-2c2c(c1)C2 |
| Inchi Key | OQBSAMYKCXFUSQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1h-cycloprop[e]azulen-7-ol |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 1h-Cycloprop[e]azulen-7-ol |
| Exact Mass | 156.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.18 |
| 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/C11H8O/c12-10-5-4-7-2-1-3-8-6-9(8)11(7)10/h1-5,12H,6H2 |
| Smiles | C1C2=CC=CC3=CC=C(C3=C21)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Matricaria Chamomilla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977576