4-bromo-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H12N2OBr2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
4-bromo-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H12N2OBr2 |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C/C(/Br)=C/c1ccccc1 |
| InChI | InChI=1S/C16H12Br2N2O/c17-14-8-6-13(7-9-14)16(21)20-19-11-15(18)10-12-4-2-1-3-5-12/h1-11H,(H,20,21) |
| InChIK | MHQCTGQDIIZWPJ-UHFFFAOYSA-N |
| TotalMolweight | 408.092 |
| Molweight | 408.092 |
| MonoisotopicMass | 405.931635 |
| CLogP | 4.5377 |
| CLogS | -5.68 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.96 |
| Relative PSA | 0.14464 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.6995 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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