2-bromo-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H12N3O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H12N3O2BrCl2 |
| Smiles | O=C(CNC(c(cccc1)c1Br)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H12BrCl2N3O2/c17-13-4-2-1-3-12(13)16(24)20-9-15(23)22-21-8-10-5-6-11(18)7-14(10)19/h1-8H,9H2,(H,20,24)(H,22,23) |
| InChIK | PLXYCVKHKQPWRG-UHFFFAOYSA-N |
| TotalMolweight | 429.1 |
| Molweight | 429.1 |
| MonoisotopicMass | 426.948992 |
| CLogP | 4.2225 |
| CLogS | -5.794 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.43 |
| Relative PSA | 0.21655 |
| 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 | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - 2-bromo-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-bromo-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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