2-bromo-N-[(Z)-phenacylideneamino]benzamide
Formula:C15H11N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-phenacylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-phenacylideneamino]benzamide |
| MolecularFormula | C15H11N2O2Br |
| Smiles | O=C(/C=N\NC(c(cccc1)c1Br)=O)c1ccccc1 |
| InChI | InChI=1S/C15H11BrN2O2/c16-13-9-5-4-8-12(13)15(20)18-17-10-14(19)11-6-2-1-3-7-11/h1-10H,(H,18,20) |
| InChIK | ZIJBWWFIQFPWTO-UHFFFAOYSA-N |
| TotalMolweight | 331.168 |
| Molweight | 331.168 |
| MonoisotopicMass | 330.000389 |
| CLogP | 2.7257 |
| CLogS | -4.623 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.37 |
| Relative PSA | 0.21959 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 2.9359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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