(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide
Formula:C15H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-phenylprop-2-enamide |
| MolecularFormula | C15H16N2O2 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C15H16N2O2/c16-10-13(9-12-5-2-1-3-6-12)15(18)17-11-14-7-4-8-19-14/h1-3,5-6,9,14H,4,7-8,11H2,(H,17,18)/t14-/m1/s1 |
| InChIK | CRIJCIUXQNALSR-CQSZACIVSA-N |
| TotalMolweight | 256.304 |
| Molweight | 256.304 |
| MonoisotopicMass | 256.121178 |
| CLogP | 1.5794 |
| CLogS | -2.948 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.93 |
| Relative PSA | 0.22571 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -2.5778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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