5,8-dihydroxy-2-[(1E)-4-methylpenta-1,3-dienyl]naphthalene-1,4-dione
PubChem CID: 101626182
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 509.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-[(1E)-4-methylpenta-1,3-dienyl]naphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MQGKFAGKLNYJRE-HWKANZROSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.701 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.972 |
| Compound Name | 5,8-dihydroxy-2-[(1E)-4-methylpenta-1,3-dienyl]naphthalene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.207660799999999 |
| Inchi | InChI=1S/C16H14O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h3-8,17-18H,1-2H3/b5-3+ |
| Smiles | CC(=C/C=C/C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Coccifera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhizomnium Magnifolium (Plant) Rel Props:Source_db:cmaup_ingredients