(E)-3-(3-bromoanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
Formula:C22H16NO2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromoanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(3-bromoanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H16NO2BrCl2 |
| Smiles | O=C(/C=C/Nc1cccc(Br)c1)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H16BrCl2NO2/c23-17-2-1-3-19(12-17)26-11-10-22(27)15-5-8-20(9-6-15)28-14-16-4-7-18(24)13-21(16)25/h1-13,26H,14H2 |
| InChIK | NZMFEILLQKAZDL-UHFFFAOYSA-N |
| TotalMolweight | 477.184 |
| Molweight | 477.184 |
| MonoisotopicMass | 474.974144 |
| CLogP | 5.7598 |
| CLogS | -7.433 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 321.72 |
| Relative PSA | 0.10724 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -1.3888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(3-bromoanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one | 2 - (E)-3-(3-bromoanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off