4-bromo-N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H13N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N3O2BrCl |
| Smiles | O=C(CNC(c(cc1)ccc1Br)=O)N/N=C\c1cc(Cl)ccc1 |
| InChI | InChI=1S/C16H13BrClN3O2/c17-13-6-4-12(5-7-13)16(23)19-10-15(22)21-20-9-11-2-1-3-14(18)8-11/h1-9H,10H2,(H,19,23)(H,21,22) |
| InChIK | ZDTWVRQVCIIVQU-UHFFFAOYSA-N |
| TotalMolweight | 394.655 |
| Molweight | 394.655 |
| MonoisotopicMass | 392.987965 |
| CLogP | 3.6165 |
| CLogS | -5.058 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.01 |
| Relative PSA | 0.2292 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5637 |
| 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 | 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 - 4-bromo-N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 4-bromo-N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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