(E)-3-(2,2-dimethylchromen-6-yl)prop-2-enal
PubChem CID: 24800020
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| Compound Synonyms | CHEMBL438883 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-3-(2,2-dimethylchromen-6-yl)prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OZWUFPPYUGAZIN-ONEGZZNKSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.76 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.402 |
| Compound Name | (E)-3-(2,2-dimethylchromen-6-yl)prop-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 214.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3299367999999996 |
| Inchi | InChI=1S/C14H14O2/c1-14(2)8-7-12-10-11(4-3-9-15)5-6-13(12)16-14/h3-10H,1-2H3/b4-3+ |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)/C=C/C=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Avicennae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all