N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide
Formula:C9H7N4O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C9H7N4O4Cl |
| Smiles | NC(C(N/N=C\c(cc1)cc([N+]([O-])=O)c1Cl)=O)=O |
| InChI | InChI=1S/C9H7ClN4O4/c10-6-2-1-5(3-7(6)14(17)18)4-12-13-9(16)8(11)15/h1-4H,(H2,11,15)(H,13,16) |
| InChIK | PKECIDSERUXHFV-UHFFFAOYSA-N |
| TotalMolweight | 270.632 |
| Molweight | 270.632 |
| MonoisotopicMass | 270.015583 |
| CLogP | -0.2319 |
| CLogS | -3.298 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 192.59 |
| Relative PSA | 0.49193 |
| PolarSurfaceArea | 130.37 |
| Druglikeness | -2.8411 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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