4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Formula:C12H10N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H10N4O4 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1ccc([N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C12H10N4O4/c13-9-3-1-8(2-4-9)12(17)15-14-7-10-5-6-11(20-10)16(18)19/h1-7H,13H2,(H,15,17) |
| InChIK | OKFBAMVVJFGBDA-UHFFFAOYSA-N |
| TotalMolweight | 274.235 |
| Molweight | 274.235 |
| MonoisotopicMass | 274.070206 |
| CLogP | 1.1428 |
| CLogS | -4.464 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 208.87 |
| Relative PSA | 0.45871 |
| PolarSurfaceArea | 126.44 |
| Druglikeness | 3.0371 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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