(E)-3-(1,3-benzodioxol-5-yl)-N-naphthalen-1-ylprop-2-enamide
Formula:C20H15NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-naphthalen-1-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-naphthalen-1-ylprop-2-enamide |
| MolecularFormula | C20H15NO3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C20H15NO3/c22-20(11-9-14-8-10-18-19(12-14)24-13-23-18)21-17-7-3-5-15-4-1-2-6-16(15)17/h1-12H,13H2,(H,21,22) |
| InChIK | KMZMCRYUGRYAIT-UHFFFAOYSA-N |
| TotalMolweight | 317.343 |
| Molweight | 317.343 |
| MonoisotopicMass | 317.105194 |
| CLogP | 4.4421 |
| CLogS | -5.815 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.59 |
| Relative PSA | 0.18268 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -0.47528 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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