2-amino-N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C21H16N3O2Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C21H16N3O2Br2Cl |
| Smiles | Nc(cccc1)c1C(N/N=C\c(cc1Br)cc(Br)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C21H16Br2ClN3O2/c22-17-9-14(11-26-27-21(28)16-3-1-2-4-19(16)25)10-18(23)20(17)29-12-13-5-7-15(24)8-6-13/h1-11H,12,25H2,(H,27,28) |
| InChIK | HIHJTYOJINTINC-UHFFFAOYSA-N |
| TotalMolweight | 537.638 |
| Molweight | 537.638 |
| MonoisotopicMass | 534.929776 |
| CLogP | 5.9288 |
| CLogS | -7.542 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 331.71 |
| Relative PSA | 0.18474 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.2222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 2-amino-N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
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