4-iodo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
Formula:C17H18N3OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-iodo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | 4-iodo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline |
| MolecularFormula | C17H18N3OI |
| Smiles | Ic(cc1)ccc1N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C17H18IN3O/c18-15-3-5-16(6-4-15)20-19-13-14-1-7-17(8-2-14)21-9-11-22-12-10-21/h1-8,13,20H,9-12H2 |
| InChIK | AQPALBPYTIJIAB-UHFFFAOYSA-N |
| TotalMolweight | 407.25 |
| Molweight | 407.25 |
| MonoisotopicMass | 407.04946 |
| CLogP | 4.947 |
| CLogS | -4.268 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.36 |
| Relative PSA | 0.1419 |
| PolarSurfaceArea | 36.86 |
| Druglikeness | 3.7205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-iodo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline | 2 - 4-iodo-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]aniline
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