(E)-3-(3-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
Formula:C18H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chlorophenyl)-N-quinolin-5-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-chlorophenyl)-N-quinolin-5-ylprop-2-enamide |
| MolecularFormula | C18H13N2OCl |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)Nc1cccc2ncccc12 |
| InChI | InChI=1S/C18H13ClN2O/c19-14-5-1-4-13(12-14)9-10-18(22)21-17-8-2-7-16-15(17)6-3-11-20-16/h1-12H,(H,21,22) |
| InChIK | KOYSGKDFEJTMTO-UHFFFAOYSA-N |
| TotalMolweight | 308.767 |
| Molweight | 308.767 |
| MonoisotopicMass | 308.07164 |
| CLogP | 4.0583 |
| CLogS | -4.94 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 237.51 |
| Relative PSA | 0.14934 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-chlorophenyl)-N-quinolin-5-ylprop-2-enamide | 2 - (E)-3-(3-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off