2-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
Formula:C16H14N4O5
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide is a drug-like molecule.
| MolName | 2-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide |
| MolecularFormula | C16H14N4O5 |
| Smiles | NC(c(cccc1)c1OCC(N/N=C\c1cccc([N+]([O-])=O)c1)=O)=O |
| InChI | InChI=1S/C16H14N4O5/c17-16(22)13-6-1-2-7-14(13)25-10-15(21)19-18-9-11-4-3-5-12(8-11)20(23)24/h1-9H,10H2,(H2,17,22)(H,19,21) |
| InChIK | LRCUQAVKSGICMV-UHFFFAOYSA-N |
| TotalMolweight | 342.31 |
| Molweight | 342.31 |
| MonoisotopicMass | 342.096421 |
| CLogP | 0.9422 |
| CLogS | -4.05 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 260.69 |
| Relative PSA | 0.40178 |
| PolarSurfaceArea | 139.6 |
| Druglikeness | -0.55587 |
| Mutagenic | high |
| Tumorigenic | low |
| 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 | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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