N-[4-[(Z)-2-[4-(benzylideneamino)phenyl]ethenyl]phenyl]-1-phenylmethanimine
Formula:C28H22N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(Z)-2-[4-(benzylideneamino)phenyl]ethenyl]phenyl]-1-phenylmethanimine is not a drug-like molecule.
| MolName | N-[4-[(Z)-2-[4-(benzylideneamino)phenyl]ethenyl]phenyl]-1-phenylmethanimine |
| MolecularFormula | C28H22N2 |
| Smiles | C(c(cc1)ccc1/N=C/c1ccccc1)=C\c(cc1)ccc1/N=C/c1ccccc1 |
| InChI | InChI=1S/C28H22N2/c1-3-7-25(8-4-1)21-29-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)30-22-26-9-5-2-6-10-26/h1-22H |
| InChIK | YOOGCVVZLJISDY-UHFFFAOYSA-N |
| TotalMolweight | 386.497 |
| Molweight | 386.497 |
| MonoisotopicMass | 386.178298 |
| CLogP | 6.6142 |
| CLogS | -6.836 |
| H Acceptors | 2 |
| TotalSurfaceArea | 328.56 |
| Relative PSA | 0.070063 |
| PolarSurfaceArea | 24.72 |
| Druglikeness | -0.13417 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 19 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-[(Z)-2-[4-(benzylideneamino)phenyl]ethenyl]phenyl]-1-phenylmethanimine | 2 - N-[4-[(Z)-2-[4-(benzylideneamino)phenyl]ethenyl]phenyl]-1-phenylmethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off