2-Vinylnaphthalene
PubChem CID: 13230
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-VINYLNAPHTHALENE, 827-54-3, 2-ethenylnaphthalene, Naphthalene, 2-ethenyl-, 28406-56-6, MFCD00004125, (2-Naphthyl)ethene, beta-Vinylnaphthalene, .beta.-Vinylnaphthalene, HZD8LI91N1, 2-EthenyInaphthalene, EINECS 212-573-6, UNII-HZD8LI91N1, (2-NAPHTHYL)ETHYLENE, VINYLNAPHTHALENE, 2-, NAPHTHALENE, 2-VINYL-, (NAPHTHALEN-2-YL)ETHENE, CHEBI:51325, 2-Vinyl-naphthalene, Naphthalene, 2ethenyl, 2-Vinylnaphthalene, 95%, DTXSID70862435, NSC177870, AKOS009156880, AC-1228, CS-W016269, FV67747, HY-W015553, NSC-177870, 2-Vinylnaphthalene, optical grade, 98%, AS-56966, SY106378, DB-038188, DS-002639, NS00042029, F10485, EN300-1243729, Q27122545, 212-573-6 |
|---|---|
| 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 | C1CCC2CCCCC2C1 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | C=Ccccccc6)cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 159.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenylnaphthalene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H10 |
| Scaffold Graph Node Bond Level | c1ccc2ccccc2c1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KXYAVSFOJVUIHT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -4.875 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.744 |
| Synonyms | β-vinylnaphthalene |
| Esol Class | Moderately soluble |
| Functional Groups | cC=C |
| Compound Name | 2-Vinylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 154.21 |
| 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 | -4.036881066666666 |
| Inchi | InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2 |
| Smiles | C=CC1=CC2=CC=CC=C2C=C1 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3525 - 2. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all