N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide
Formula:C16H13N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide |
| MolecularFormula | C16H13N3O2BrCl |
| Smiles | O=C(CNC(c(cccc1)c1Cl)=O)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C16H13BrClN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22) |
| InChIK | LKVUQPXDVXWWCZ-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 | 0.65217 |
| 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 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide | 2 - N-[2-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chlorobenzamide
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