(3E,5E,7E,9E)-3-methyl-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one
PubChem CID: 23425616
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| Topological Polar Surface Area | 30.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E,7E,9E)-3-methyl-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H17NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | UBUAEHWEDNZXNZ-IUYZRXEPSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.142 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.996 |
| Compound Name | (3E,5E,7E,9E)-3-methyl-10-pyridin-3-yldeca-3,5,7,9-tetraen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 239.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 239.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 239.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -3.3005382666666665 |
| Inchi | InChI=1S/C16H17NO/c1-14(15(2)18)9-6-4-3-5-7-10-16-11-8-12-17-13-16/h3-13H,1-2H3/b5-3+,6-4+,10-7+,14-9+ |
| Smiles | C/C(=C\C=C\C=C\C=C\C1=CN=CC=C1)/C(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients