(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
Formula:C16H15NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C16H15NO4 |
| Smiles | O=C(/C=C/c1ccco1)NCC1Oc(cccc2)c2OC1 |
| InChI | InChI=1S/C16H15NO4/c18-16(8-7-12-4-3-9-19-12)17-10-13-11-20-14-5-1-2-6-15(14)21-13/h1-9,13H,10-11H2,(H,17,18)/t13-/m0/s1 |
| InChIK | VOYUVQXRMDMSJG-ZDUSSCGKSA-N |
| TotalMolweight | 285.298 |
| Molweight | 285.298 |
| MonoisotopicMass | 285.100109 |
| CLogP | 2.0085 |
| CLogS | -3.165 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.94 |
| Relative PSA | 0.26056 |
| PolarSurfaceArea | 60.7 |
| Druglikeness | 0.87586 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(furan-2-yl)prop-2-enamide
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