4-Styrylpyridazine
PubChem CID: 5371671
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| Compound Synonyms | 4-Styrylpyridazine, 4 Styrylpyridazine, 39816-19-8, 4-[(E)-styryl]pyridazine, 4Styrylpyridazine, 4-[(E)-2-Phenylethenyl]pyridazine, 35782-28-6, (E)-4-styrylpyridazine, NSC283144, SCHEMBL6332506, WHUUTUUXTSPPDS-VOTSOKGWSA-N, MFCD00078354, AKOS006229070, 4-[(E)-2-Phenylethenyl]pyridazine #, NSC-283144, F89276 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-2-phenylethenyl]pyridazine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C12H10N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHUUTUUXTSPPDS-VOTSOKGWSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.951 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.676 |
| Compound Name | 4-Styrylpyridazine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 182.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.801386914285714 |
| Inchi | InChI=1S/C12H10N2/c1-2-4-11(5-3-1)6-7-12-8-9-13-14-10-12/h1-10H/b7-6+ |
| Smiles | C1=CC=C(C=C1)/C=C/C2=CN=NC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients