2-hydroxy-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H14N4O5 |
| Smiles | [O-][N+](c1c(/C=N\NC(CNC(c(cccc2)c2O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C16H14N4O5/c21-14-8-4-2-6-12(14)16(23)17-10-15(22)19-18-9-11-5-1-3-7-13(11)20(24)25/h1-9,21H,10H2,(H,17,23)(H,19,22) |
| InChIK | CTFZHJOGZJUCND-UHFFFAOYSA-N |
| TotalMolweight | 342.31 |
| Molweight | 342.31 |
| MonoisotopicMass | 342.096421 |
| CLogP | 1.018 |
| CLogS | -3.652 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 259.98 |
| Relative PSA | 0.40015 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 0.20506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-hydroxy-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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