N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H14N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H14N3O2Br |
| Smiles | O=C(CNC(c1ccccc1)=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C16H14BrN3O2/c17-14-8-4-5-12(9-14)10-19-20-15(21)11-18-16(22)13-6-2-1-3-7-13/h1-10H,11H2,(H,18,22)(H,20,21) |
| InChIK | XZMUMPMXITVTGM-UHFFFAOYSA-N |
| TotalMolweight | 360.21 |
| Molweight | 360.21 |
| MonoisotopicMass | 359.026938 |
| CLogP | 3.0105 |
| CLogS | -4.322 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.59 |
| Relative PSA | 0.24341 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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