6-(4-Methyl-3-pentenyl)-1,4-naphthoquinone
PubChem CID: 5318572
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| Compound Synonyms | 6-(4-Methyl-3-pentenyl)-1,4-naphthoquinone, CHEMBL55858, SCHEMBL7626880, 6-(4-methylpent-3-en-1-yl)naphthalene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(4-methylpent-3-enyl)naphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C16H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYCONGPDLAMOQE-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.54 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.768 |
| Compound Name | 6-(4-Methyl-3-pentenyl)-1,4-naphthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8733390666666665 |
| Inchi | InChI=1S/C16H16O2/c1-11(2)4-3-5-12-6-7-13-14(10-12)16(18)9-8-15(13)17/h4,6-10H,3,5H2,1-2H3 |
| Smiles | CC(=CCCC1=CC2=C(C=C1)C(=O)C=CC2=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helenium Microcephalum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all