4,7-Methanoazulene
PubChem CID: 129829942
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| Compound Synonyms | 4,7-methanoazulene |
|---|---|
| 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 | C1CC2CC3CCC(C3)C2C1 |
| Deep Smiles | ccc-cc5)ccCc6cc5 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Aromatic hydrocarbons |
| Scaffold Graph Node Level | C1CC2CC3CCC(C3)C2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[6.2.1.02,6]undeca-1(10),2,4,6,8-pentaene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8 |
| Scaffold Graph Node Bond Level | C1=CC2=CC3=CC=C(C3)C2=C1 |
| Inchi Key | MUXWALMJUFGNDY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 4,7-methanoazulene |
| Esol Class | Soluble |
| Functional Groups | C1=CC2=CC3=CC=C(C3)C2=C1 |
| Compound Name | 4,7-Methanoazulene |
| 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/c1-2-9-6-8-4-5-10(7-8)11(9)3-1/h1-6H,7H2 |
| Smiles | C1C2=CC=C1C3=CC=CC3=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840