Naphthalen-1(2h)-one
PubChem CID: 12446728
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| Compound Synonyms | naphthalen-1(2h)-one, 1(2H)-Naphthalenone, naphthalenone, 68432-16-6, 2h-naphthalen-1-one, 57392-28-6, 1,2-dihydronaphthalen-1-one, naphthalone, 1-naphthalenone, benzocyclohexenone, naphthalen-1-one, (2H)-naphthalenone, SCHEMBL249997, DTXSID30498658, RZPFVRFSYMUDJO-UHFFFAOYSA-N, F31381 |
|---|---|
| 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 | CC1CCCC2CCCCC12 |
| Deep Smiles | O=CCC=Ccc6cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CCCC2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2H-naphthalen-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8O |
| Scaffold Graph Node Bond Level | O=C1CC=Cc2ccccc21 |
| Inchi Key | RZPFVRFSYMUDJO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | naphthalenone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O, cC=CC |
| Compound Name | Naphthalen-1(2h)-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/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6H,7H2 |
| Smiles | C1C=CC2=CC=CC=C2C1=O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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