N-[(Z)-2-[3-[[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]phenyl]iminoethylideneamino]aniline
Formula:C22H20N6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-2-[3-[[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]phenyl]iminoethylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-2-[3-[[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]phenyl]iminoethylideneamino]aniline |
| MolecularFormula | C22H20N6 |
| Smiles | C(/C=N\Nc1ccccc1)=N/c1cccc(/N=C/C=N\Nc2ccccc2)c1 |
| InChI | InChI=1S/C22H20N6/c1-3-8-19(9-4-1)27-25-16-14-23-21-12-7-13-22(18-21)24-15-17-26-28-20-10-5-2-6-11-20/h1-18,27-28H |
| InChIK | XCMZPCYSZSCDKK-UHFFFAOYSA-N |
| TotalMolweight | 368.443 |
| Molweight | 368.443 |
| MonoisotopicMass | 368.174944 |
| CLogP | 5.1158 |
| CLogS | -4.038 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 314.74 |
| Relative PSA | 0.2191 |
| PolarSurfaceArea | 73.5 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2-[3-[[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]phenyl]iminoethylideneamino]aniline | 2 - N-[(Z)-2-[3-[[(2Z)-2-(phenylhydrazinylidene)ethylidene]amino]phenyl]iminoethylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off