2-(4-bromophenoxy)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
Formula:C18H15N2O3Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenoxy)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenoxy)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C18H15N2O3Br |
| Smiles | C#CCOc1c(/C=N\NC(COc(cc2)ccc2Br)=O)cccc1 |
| InChI | InChI=1S/C18H15BrN2O3/c1-2-11-23-17-6-4-3-5-14(17)12-20-21-18(22)13-24-16-9-7-15(19)8-10-16/h1,3-10,12H,11,13H2,(H,21,22) |
| InChIK | WGSRQDROQMYAQM-UHFFFAOYSA-N |
| TotalMolweight | 387.232 |
| Molweight | 387.232 |
| MonoisotopicMass | 386.026604 |
| CLogP | 3.4589 |
| CLogS | -4.977 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 276.95 |
| Relative PSA | 0.20224 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4262 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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