N'-anilino-4-[2-[2-[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenoxy]ethoxy]ethoxy]-N-phenyliminobenzenecarboximidamide
Formula:C42H38N8O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-anilino-4-[2-[2-[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenoxy]ethoxy]ethoxy]-N-phenyliminobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-anilino-4-[2-[2-[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenoxy]ethoxy]ethoxy]-N-phenyliminobenzenecarboximidamide |
| MolecularFormula | C42H38N8O3 |
| Smiles | C(COc(cc1)ccc1/C(/N=N/c1ccccc1)=N\Nc1ccccc1)OCCOc(cc1)ccc1/C(/N=N/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C42H38N8O3/c1-5-13-35(14-6-1)43-47-41(48-44-36-15-7-2-8-16-36)33-21-25-39(26-22-33)52-31-29-51-30-32-53-40-27-23-34(24-28-40)42(49-45-37-17-9-3-10-18-37)50-46-38-19-11-4-12-20-38/h1-28,43,45H,29-32H2 |
| InChIK | JANWPRWGHAEHKY-UHFFFAOYSA-N |
| TotalMolweight | 702.817 |
| Molweight | 702.817 |
| MonoisotopicMass | 702.306687 |
| CLogP | 12.713 |
| CLogS | -9.489 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 572 |
| Relative PSA | 0.21325 |
| PolarSurfaceArea | 125.91 |
| Druglikeness | -14.935 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | azo |
| Shape Index | 0.54717 |
| Fragments | 1 |
| Non HAtoms | 53 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 16 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 7 |
| Symmetricatoms | 32 |
| StereoCon |
Click to Load Molecule:
1 - N'-anilino-4-[2-[2-[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenoxy]ethoxy]ethoxy]-N-phenyliminobenzenecarboximidamide | 2 - N'-anilino-4-[2-[2-[4-[(E)-N'-anilino-N-phenyliminocarbamimidoyl]phenoxy]ethoxy]ethoxy]-N-phenyliminobenzenecarboximidamide
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