4-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H13N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H13N2OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/C=C/c1ccccc1 |
| InChI | InChI=1S/C16H13BrN2O/c17-15-10-8-14(9-11-15)16(20)19-18-12-4-7-13-5-2-1-3-6-13/h1-12H,(H,19,20) |
| InChIK | UPRTYQPYNUEAMW-UHFFFAOYSA-N |
| TotalMolweight | 329.196 |
| Molweight | 329.196 |
| MonoisotopicMass | 328.021124 |
| CLogP | 3.9451 |
| CLogS | -4.847 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.12 |
| Relative PSA | 0.15514 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.6581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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