N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]aniline
Formula:C20H15N2OClI2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]aniline |
| MolecularFormula | C20H15N2OClI2 |
| Smiles | Clc1ccc(COc(c(I)cc(/C=N\Nc2ccccc2)c2)c2I)cc1 |
| InChI | InChI=1S/C20H15ClI2N2O/c21-16-8-6-14(7-9-16)13-26-20-18(22)10-15(11-19(20)23)12-24-25-17-4-2-1-3-5-17/h1-12,25H,13H2 |
| InChIK | OTRKSCWUPGNAKQ-UHFFFAOYSA-N |
| TotalMolweight | 588.605 |
| Molweight | 588.605 |
| MonoisotopicMass | 587.896236 |
| CLogP | 7.6692 |
| CLogS | -7.258 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 320.74 |
| Relative PSA | 0.10279 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 2.2501 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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