N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C26H19N2O2BrI2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C26H19N2O2BrI2 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1I)cc(I)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C26H19BrI2N2O2/c27-21-10-8-17(9-11-21)16-33-26-23(28)12-18(13-24(26)29)15-30-31-25(32)14-20-6-3-5-19-4-1-2-7-22(19)20/h1-13,15H,14,16H2,(H,31,32) |
| InChIK | AGKROIVMUDUHCH-UHFFFAOYSA-N |
| TotalMolweight | 725.153 |
| Molweight | 725.153 |
| MonoisotopicMass | 723.871935 |
| CLogP | 7.3416 |
| CLogS | -9.499 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 390.06 |
| Relative PSA | 0.11796 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.6733 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide | 2 - N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-naphthalen-1-ylacetamide
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