3-bromo-N-[(E)-(4-phenylphenyl)methylideneamino]benzamide
Formula:C20H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(E)-(4-phenylphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(E)-(4-phenylphenyl)methylideneamino]benzamide |
| MolecularFormula | C20H15N2OBr |
| Smiles | O=C(c1cccc(Br)c1)N/N=C/c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C20H15BrN2O/c21-19-8-4-7-18(13-19)20(24)23-22-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14H,(H,23,24) |
| InChIK | QLJTUPLMGIRPRF-UHFFFAOYSA-N |
| TotalMolweight | 379.256 |
| Molweight | 379.256 |
| MonoisotopicMass | 378.036774 |
| CLogP | 5.586 |
| CLogS | -6.641 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.38 |
| Relative PSA | 0.13569 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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