N'-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]oxamide
Formula:C11H10N4O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]oxamide |
| MolecularFormula | C11H10N4O4 |
| Smiles | NC(C(N/N=C\C=C\c(cccc1)c1[N+]([O-])=O)=O)=O |
| InChI | InChI=1S/C11H10N4O4/c12-10(16)11(17)14-13-7-3-5-8-4-1-2-6-9(8)15(18)19/h1-7H,(H2,12,16)(H,14,17) |
| InChIK | JZWKQNIAPAZOFF-UHFFFAOYSA-N |
| TotalMolweight | 262.224 |
| Molweight | 262.224 |
| MonoisotopicMass | 262.070206 |
| CLogP | -0.8196 |
| CLogS | -2.854 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 203.67 |
| Relative PSA | 0.46516 |
| PolarSurfaceArea | 130.37 |
| Druglikeness | -2.8037 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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