1H-Cycloprop[e]azulene
PubChem CID: 15549266
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| Compound Synonyms | 1H-Cycloprop[e]azulene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC2C2CC2C1 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | ccc-cccc7)C3)))ccc5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CC2CCCC2C2CC2C1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-cyclopropa[e]azulene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8 |
| Scaffold Graph Node Bond Level | c1cc2cccc-2c2c(c1)C2 |
| Inchi Key | KITKOMRVEUKLLD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1h-cycloprop[e] azulene |
| Esol Class | Soluble |
| Compound Name | 1H-Cycloprop[e]azulene |
| Exact Mass | 140.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.063 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 140.18 |
| Gi Absorption | False |
| 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/C11H8/c1-3-8-4-2-6-10(8)11-7-9(11)5-1/h1-6H,7H2 |
| Smiles | C1C2=CC=CC3=CC=CC3=C21 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331