(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-2-phenylprop-2-enamide
Formula:C20H20NO2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-2-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-2-phenylprop-2-enamide |
| MolecularFormula | C20H20NO2Cl |
| Smiles | O=C(/C(/c1ccccc1)=C/c(cccc1)c1Cl)NCC1OCCC1 |
| InChI | InChI=1S/C20H20ClNO2/c21-19-11-5-4-9-16(19)13-18(15-7-2-1-3-8-15)20(23)22-14-17-10-6-12-24-17/h1-5,7-9,11,13,17H,6,10,12,14H2,(H,22,23)/t17-/m1/s1 |
| InChIK | JSGBZMDKRKVIGN-QGZVFWFLSA-N |
| TotalMolweight | 341.837 |
| Molweight | 341.837 |
| MonoisotopicMass | 341.118256 |
| CLogP | 3.6702 |
| CLogS | -4.369 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.4 |
| Relative PSA | 0.1295 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 1.8459 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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