(E)-3-(1,3-benzodioxol-5-yl)prop-2-enamide
Formula:C10H9NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)prop-2-enamide |
| MolecularFormula | C10H9NO3 |
| Smiles | NC(/C=C/c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C10H9NO3/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H2,11,12) |
| InChIK | MUUVUPIRNSULQW-UHFFFAOYSA-N |
| TotalMolweight | 191.185 |
| Molweight | 191.185 |
| MonoisotopicMass | 191.058244 |
| CLogP | 1.1875 |
| CLogS | -2.786 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 146.29 |
| Relative PSA | 0.33023 |
| PolarSurfaceArea | 61.55 |
| Druglikeness | -1.1861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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