5-Azulenemethanol
PubChem CID: 124121996
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| Compound Synonyms | 5-azulenemethanol, SCHEMBL18297788 |
|---|---|
| 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 | C1CCC2CCCC2CC1 |
| Np Classifier Class | p-Terphenyls |
| Deep Smiles | OCccccc-cc7)ccc5 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CCCC2CC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | azulen-5-ylmethanol |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H10O |
| Scaffold Graph Node Bond Level | c1ccc2cccc-2cc1 |
| Inchi Key | YTJZRHVGZOVOMX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5-azulenemethanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 5-Azulenemethanol |
| Exact Mass | 158.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.2 |
| 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/C11H10O/c12-8-9-3-1-4-10-5-2-6-11(10)7-9/h1-7,12H,8H2 |
| Smiles | C1=CC2=CC=CC2=CC(=C1)CO |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Terphenyls |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Mearnsii (Plant) Rel Props:Reference:https://doi.org/10.1080/14786419.2014.983504