N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]formamide
Formula:C12H9N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]formamide |
| MolecularFormula | C12H9N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC=O)o1)=O |
| InChI | InChI=1S/C12H9N3O4/c16-8-14-13-7-11-5-6-12(19-11)9-1-3-10(4-2-9)15(17)18/h1-8H,(H,14,16) |
| InChIK | HBURWRRPCYGRHB-UHFFFAOYSA-N |
| TotalMolweight | 259.22 |
| Molweight | 259.22 |
| MonoisotopicMass | 259.059307 |
| CLogP | 1.4043 |
| CLogS | -4.64 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 202.14 |
| Relative PSA | 0.39844 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.71285 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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