N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]benzamide
Formula:C16H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]benzamide |
| MolecularFormula | C16H14N3O3Br |
| Smiles | NC(COc(ccc(/C=N\NC(c1ccccc1)=O)c1)c1Br)=O |
| InChI | InChI=1S/C16H14BrN3O3/c17-13-8-11(6-7-14(13)23-10-15(18)21)9-19-20-16(22)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,21)(H,20,22) |
| InChIK | PEEIYUZKQNNSQR-UHFFFAOYSA-N |
| TotalMolweight | 376.209 |
| Molweight | 376.209 |
| MonoisotopicMass | 375.021853 |
| CLogP | 2.589 |
| CLogS | -4.424 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 255.65 |
| Relative PSA | 0.29071 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 2.7464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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