Methanonaphthalene
PubChem CID: 12343165
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| Compound Synonyms | methanonaphthalene |
|---|---|
| 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 | C1CCC2C(C1)CCC1CC12 |
| Deep Smiles | cccccc6)cccc6C3 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-cyclopropa[a]naphthalene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8 |
| Scaffold Graph Node Bond Level | c1ccc2c3c(ccc2c1)C3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZITVKGIRQCDOSX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0909090909090909 |
| Logs | -4.621 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.954 |
| Synonyms | 1h-cyclopropa[a]naphthalene |
| Esol Class | Soluble |
| Compound Name | Methanonaphthalene |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Esol | -0.9975742727272724 |
| Inchi | InChI=1S/C11H8/c1-2-4-10-8(3-1)5-6-9-7-11(9)10/h1-6H,7H2 |
| Smiles | C1C2=C1C3=CC=CC=C3C=C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840