(E)-N-[2-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
Formula:C15H14NO2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C15H14NO2Cl |
| Smiles | O=C(/C=C/c1ccco1)NCCc1cccc(Cl)c1 |
| InChI | InChI=1S/C15H14ClNO2/c16-13-4-1-3-12(11-13)8-9-17-15(18)7-6-14-5-2-10-19-14/h1-7,10-11H,8-9H2,(H,17,18) |
| InChIK | MKYNUHHTFZZFJO-UHFFFAOYSA-N |
| TotalMolweight | 275.734 |
| Molweight | 275.734 |
| MonoisotopicMass | 275.071306 |
| CLogP | 3.0705 |
| CLogS | -3.844 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.36 |
| Relative PSA | 0.17442 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | 0.52846 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[2-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[2-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off