N-benzyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline
Formula:C18H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-benzyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]aniline |
| MolecularFormula | C18H15N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N(Cc2ccccc2)c2ccccc2)o1)=O |
| InChI | InChI=1S/C18H15N3O3/c22-21(23)18-12-11-17(24-18)13-19-20(16-9-5-2-6-10-16)14-15-7-3-1-4-8-15/h1-13H,14H2 |
| InChIK | QJVPJQNMAJDPJZ-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 3.5903 |
| CLogS | -4.969 |
| H Acceptors | 6 |
| TotalSurfaceArea | 254.96 |
| Relative PSA | 0.23372 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | 3.1516 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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