Naphthalen-2(1H)-one
PubChem CID: 11400841
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| Compound Synonyms | Naphthalen-2(1H)-one, 136156-72-4, 2(1H)-Naphthalenone, SCHEMBL461295 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CCCCC2C1 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | O=CC=CccC6)cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1H-naphthalen-2-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8O |
| Scaffold Graph Node Bond Level | O=C1C=Cc2ccccc2C1 |
| Inchi Key | WZCKOKPKQZIGNU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2(1h)-naphthalenone |
| Esol Class | Soluble |
| Functional Groups | cC=CC(C)=O |
| Compound Name | Naphthalen-2(1H)-one |
| Exact Mass | 144.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.17 |
| 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/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-6H,7H2 |
| Smiles | C1C(=O)C=CC2=CC=CC=C21 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
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