1,2,3,4-Tetramethylnaphthalene
PubChem CID: 520473
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| Compound Synonyms | 1,2,3,4-Tetramethylnaphthalene, 3031-15-0, Naphthalene, 1,2,3,4-tetramethyl-, Naphthalene, tetramethyl-, tetramethylnaphthalene, 28652-74-6, DTXSID70873248, ZDPJODSYNODADV-UHFFFAOYSA-N, 1,2,3,4-Tetramethylnaphthalene #, AKOS006272456, NS00095880 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,4-tetramethylnaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C14H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDPJODSYNODADV-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -6.336 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.056 |
| Compound Name | 1,2,3,4-Tetramethylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 184.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.428019828571428 |
| Inchi | InChI=1S/C14H16/c1-9-10(2)12(4)14-8-6-5-7-13(14)11(9)3/h5-8H,1-4H3 |
| Smiles | CC1=C(C2=CC=CC=C2C(=C1C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients