N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H13N2OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H13N2OBr |
| Smiles | O=C(c1ccccc1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C16H13BrN2O/c17-15(11-13-7-3-1-4-8-13)12-18-19-16(20)14-9-5-2-6-10-14/h1-12H,(H,19,20) |
| InChIK | RTLFLRHOQRCXJM-UHFFFAOYSA-N |
| TotalMolweight | 329.196 |
| Molweight | 329.196 |
| MonoisotopicMass | 328.021124 |
| CLogP | 3.8125 |
| CLogS | -4.846 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.33 |
| Relative PSA | 0.15634 |
| 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 | 0.7 |
| 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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