2-bromo-N-[2-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H12N4O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[2-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[2-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H12N4O4BrCl |
| Smiles | [O-][N+](c(cc(/C=N\NC(CNC(c(cccc1)c1Br)=O)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H12BrClN4O4/c17-12-4-2-1-3-11(12)16(24)19-9-15(23)21-20-8-10-5-6-13(18)14(7-10)22(25)26/h1-8H,9H2,(H,19,24)(H,21,23) |
| InChIK | YRFYJEPNCROQKP-UHFFFAOYSA-N |
| TotalMolweight | 439.652 |
| Molweight | 439.652 |
| MonoisotopicMass | 437.973044 |
| CLogP | 2.6949 |
| CLogS | -5.518 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 287.68 |
| Relative PSA | 0.31608 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.5432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-bromo-N-[2-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-bromo-N-[2-[(2Z)-2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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