2-(3-bromophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H15N2O2Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H15BrN2O2/c18-15-9-4-10-16(12-15)22-13-17(21)20-19-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,21) |
| InChIK | MFGPJVJYAAEPPB-UHFFFAOYSA-N |
| TotalMolweight | 359.222 |
| Molweight | 359.222 |
| MonoisotopicMass | 358.031689 |
| CLogP | 3.52 |
| CLogS | -4.627 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.88 |
| Relative PSA | 0.17981 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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