(E)-3-(1,3-benzodioxol-5-yl)-N-quinolin-5-ylprop-2-enamide
Formula:C19H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-quinolin-5-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-quinolin-5-ylprop-2-enamide |
| MolecularFormula | C19H14N2O3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc1cccc2ncccc12 |
| InChI | InChI=1S/C19H14N2O3/c22-19(9-7-13-6-8-17-18(11-13)24-12-23-17)21-16-5-1-4-15-14(16)3-2-10-20-15/h1-11H,12H2,(H,21,22) |
| InChIK | YPRKNIUQELBCSZ-UHFFFAOYSA-N |
| TotalMolweight | 318.331 |
| Molweight | 318.331 |
| MonoisotopicMass | 318.100443 |
| CLogP | 3.5637 |
| CLogS | -4.915 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.35 |
| Relative PSA | 0.22888 |
| PolarSurfaceArea | 60.45 |
| Druglikeness | -0.47528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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