| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide |
| MolecularFormula | C18H14N3O3Cl |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)NCc1cn(cc(cc2)Cl)c2n1 |
| InChI | InChI=1S/C18H14ClN3O3/c19-13-3-5-17-21-14(10-22(17)9-13)8-20-18(23)6-2-12-1-4-15-16(7-12)25-11-24-15/h1-7,9-10H,8,11H2,(H,20,23) |
| InChIK | GBBMKNHFCHTXSC-UHFFFAOYSA-N |
| TotalMolweight | 355.78 |
| Molweight | 355.78 |
| MonoisotopicMass | 355.072369 |
| CLogP | 2.5596 |
| CLogS | -6.066 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.18 |
| Relative PSA | 0.24189 |
| PolarSurfaceArea | 64.86 |
| Druglikeness | 1.4753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]prop-2-enamide