4-chloro-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H13N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N4O4Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c(cc2)ccc2Cl)=O)=O)cc1)=O |
| InChI | InChI=1S/C16H13ClN4O4/c17-13-5-3-12(4-6-13)16(23)18-10-15(22)20-19-9-11-1-7-14(8-2-11)21(24)25/h1-9H,10H2,(H,18,23)(H,20,22) |
| InChIK | SMSUASJUVBGGKC-UHFFFAOYSA-N |
| TotalMolweight | 360.756 |
| Molweight | 360.756 |
| MonoisotopicMass | 360.062533 |
| CLogP | 1.9697 |
| CLogS | -4.684 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 269.05 |
| Relative PSA | 0.33797 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 0.24684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-chloro-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 4-chloro-N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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