(E)-3-[4-[[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-1-phenylprop-2-en-1-one
Formula:C38H28N2O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-[4-[[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-1-phenylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-[[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-1-phenylprop-2-en-1-one |
| MolecularFormula | C38H28N2O2 |
| Smiles | O=C(/C=C/c(cc1)ccc1/N=C/c1ccc(/C=N/c2ccc(/C=C/C(c3ccccc3)=O)cc2)cc1)c1ccccc1 |
| InChI | InChI=1S/C38H28N2O2/c41-37(33-7-3-1-4-8-33)25-19-29-15-21-35(22-16-29)39-27-31-11-13-32(14-12-31)28-40-36-23-17-30(18-24-36)20-26-38(42)34-9-5-2-6-10-34/h1-28H |
| InChIK | HEVQOMCLDGEUJH-UHFFFAOYSA-N |
| TotalMolweight | 544.652 |
| Molweight | 544.652 |
| MonoisotopicMass | 544.215078 |
| CLogP | 7.6956 |
| CLogS | -9.148 |
| H Acceptors | 4 |
| TotalSurfaceArea | 450.32 |
| Relative PSA | 0.10903 |
| PolarSurfaceArea | 58.86 |
| Druglikeness | 1.1964 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Symmetricatoms | 26 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[4-[[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-1-phenylprop-2-en-1-one | 2 - (E)-3-[4-[[4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]iminomethyl]phenyl]methylideneamino]phenyl]-1-phenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off