2-anilino-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H16N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-anilino-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H16N4O4 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(CNc3ccccc3)=O)o2)ccc1)=O |
| InChI | InChI=1S/C19H16N4O4/c24-19(13-20-15-6-2-1-3-7-15)22-21-12-17-9-10-18(27-17)14-5-4-8-16(11-14)23(25)26/h1-12,20H,13H2,(H,22,24) |
| InChIK | XDLHLSLLYSCGSF-UHFFFAOYSA-N |
| TotalMolweight | 364.36 |
| Molweight | 364.36 |
| MonoisotopicMass | 364.117156 |
| CLogP | 2.5108 |
| CLogS | -5.463 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 285.33 |
| Relative PSA | 0.32243 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 1.9524 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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