2-(111C)methylnaphthalene
PubChem CID: 450699
Connections displayed (default: 10).
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| Compound Synonyms | MOLI001229 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(111C)methylnaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C11H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QIMMUPPBPVKWKM-BJUDXGSMSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -4.338 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.662 |
| Compound Name | 2-(111C)methylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 141.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.09 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 141.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8199761610472724 |
| Inchi | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3/i1-1 |
| Smiles | [11CH3]C1=CC2=CC=CC=C2C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syringa Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients