Mol Weight - 176.218
Smiles - CN(C)/C=C/C(c1cnccc1)=O
| Property Name | Property Value |
| Mol Name | (E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one |
| Molweight | 176.218 |
| Monoisotopic Mass | 176.094963 |
| Clogp | 0.0314 |
| Clogs | -1.122 |
| H Acceptors | 3 |
| Total Surface Area | 151.09 |
| Relative Psa | 0.18241 |
| Polar Surface Area | 33.2 |
| Druglikeness | 1.4632 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.69231 |
| Molecular Flexibility | 0.49797 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | CN(C)/C=C/C(c1cnccc1)=O |
| InChIKey | InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3 |
| InChI | MZLRFUCMBQWLNV-UHFFFAOYSA-N |
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1 — (E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one | 2 — (E)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one