4-amino-N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H18N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H18N3O2Br |
| Smiles | Nc(cc1)ccc1C(N/N=C/c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C21H18BrN3O2/c22-18-8-11-20(27-14-15-4-2-1-3-5-15)17(12-18)13-24-25-21(26)16-6-9-19(23)10-7-16/h1-13H,14,23H2,(H,25,26) |
| InChIK | IRZLHCBBEQDBII-UHFFFAOYSA-N |
| TotalMolweight | 424.297 |
| Molweight | 424.297 |
| MonoisotopicMass | 423.058238 |
| CLogP | 4.5976 |
| CLogS | -5.972 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 297.66 |
| Relative PSA | 0.20587 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 2.1869 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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