(E)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C18H19NO2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C18H19NO2 |
| Smiles | O=C(/C=C/c1cccc2ccccc12)NCC1OCCC1 |
| InChI | InChI=1S/C18H19NO2/c20-18(19-13-16-8-4-12-21-16)11-10-15-7-3-6-14-5-1-2-9-17(14)15/h1-3,5-7,9-11,16H,4,8,12-13H2,(H,19,20)/t16-/m1/s1 |
| InChIK | VIDYHAYCVCLOKI-MRXNPFEDSA-N |
| TotalMolweight | 281.354 |
| Molweight | 281.354 |
| MonoisotopicMass | 281.141579 |
| CLogP | 2.9218 |
| CLogS | -4.282 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.61 |
| Relative PSA | 0.15158 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.81013 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-naphthalen-1-yl-N-(oxolan-2-ylmethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off