3-bromo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H17N2O2Br |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H17BrN2O2/c22-19-10-5-9-18(13-19)21(25)24-23-14-17-8-4-11-20(12-17)26-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,25) |
| InChIK | FGFSFISBQVVHKP-UHFFFAOYSA-N |
| TotalMolweight | 409.282 |
| Molweight | 409.282 |
| MonoisotopicMass | 408.047339 |
| CLogP | 5.2749 |
| CLogS | -5.896 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.14 |
| Relative PSA | 0.15913 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-bromo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 3-bromo-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
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