(E)-3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
Formula:C22H15NOBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H15NOBr2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c1cccc(/N=C/c(cc2)ccc2Br)c1 |
| InChI | InChI=1S/C22H15Br2NO/c23-19-9-4-16(5-10-19)8-13-22(26)18-2-1-3-21(14-18)25-15-17-6-11-20(24)12-7-17/h1-15H |
| InChIK | AHGFQGQMVZNYEI-UHFFFAOYSA-N |
| TotalMolweight | 469.175 |
| Molweight | 469.175 |
| MonoisotopicMass | 466.952036 |
| CLogP | 6.128 |
| CLogS | -7.05 |
| H Acceptors | 2 |
| TotalSurfaceArea | 299.05 |
| Relative PSA | 0.082093 |
| PolarSurfaceArea | 29.43 |
| Druglikeness | -0.59356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one | 2 - (E)-3-(4-bromophenyl)-1-[3-[(4-bromophenyl)methylideneamino]phenyl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off