(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one
Formula:C19H19N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one |
| MolecularFormula | C19H19N2O2Br |
| Smiles | O=C(/C=C/Nc(cc1)ccc1N1CCOCC1)c(cc1)ccc1Br |
| InChI | InChI=1S/C19H19BrN2O2/c20-16-3-1-15(2-4-16)19(23)9-10-21-17-5-7-18(8-6-17)22-11-13-24-14-12-22/h1-10,21H,11-14H2 |
| InChIK | OEYHMRZIEVCEHN-UHFFFAOYSA-N |
| TotalMolweight | 387.276 |
| Molweight | 387.276 |
| MonoisotopicMass | 386.062989 |
| CLogP | 2.8687 |
| CLogS | -4.723 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.2 |
| Relative PSA | 0.14134 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 0.38746 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one | 2 - (E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylanilino)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off