| MolName | (E)-3-phenyl-N-[4-[[4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]prop-2-en-1-imine |
| MolecularFormula | C31H26N2 |
| Smiles | C(c(cc1)ccc1/N=C/C=C/c1ccccc1)c(cc1)ccc1/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C31H26N2/c1-3-9-26(10-4-1)13-7-23-32-30-19-15-28(16-20-30)25-29-17-21-31(22-18-29)33-24-8-14-27-11-5-2-6-12-27/h1-24H,25H2 |
| InChIK | VEPYLJPVFMGBKU-UHFFFAOYSA-N |
| TotalMolweight | 426.561 |
| Molweight | 426.561 |
| MonoisotopicMass | 426.209598 |
| CLogP | 6.2597 |
| CLogS | -6.995 |
| H Acceptors | 2 |
| TotalSurfaceArea | 368.82 |
| Relative PSA | 0.062415 |
| PolarSurfaceArea | 24.72 |
| Druglikeness | -0.28121 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75758 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 20 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-phenyl-N-[4-[[4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]prop-2-en-1-imine | 2 - (E)-3-phenyl-N-[4-[[4-[[(E)-3-phenylprop-2-enylidene]amino]phenyl]methyl]phenyl]prop-2-en-1-imine