N'-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]oxamide
Formula:C13H10N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]oxamide |
| MolecularFormula | C13H10N4O5 |
| Smiles | NC(C(N/N=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O)=O |
| InChI | InChI=1S/C13H10N4O5/c14-12(18)13(19)16-15-7-10-5-6-11(22-10)8-1-3-9(4-2-8)17(20)21/h1-7H,(H2,14,18)(H,16,19) |
| InChIK | SLMQZLUHBDDKSR-UHFFFAOYSA-N |
| TotalMolweight | 302.245 |
| Molweight | 302.245 |
| MonoisotopicMass | 302.065121 |
| CLogP | 0.101 |
| CLogS | -4.022 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 226.62 |
| Relative PSA | 0.48032 |
| PolarSurfaceArea | 143.51 |
| Druglikeness | -0.79896 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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