N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenylaniline
Formula:C17H13N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenylaniline is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenylaniline |
| MolecularFormula | C17H13N3O3 |
| Smiles | [O-][N+](c1ccc(/C=N\N(c2ccccc2)c2ccccc2)o1)=O |
| InChI | InChI=1S/C17H13N3O3/c21-20(22)17-12-11-16(23-17)13-18-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H |
| InChIK | NYSMVFMMEZWRJQ-UHFFFAOYSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 3.8473 |
| CLogS | -6.393 |
| H Acceptors | 6 |
| TotalSurfaceArea | 241.2 |
| Relative PSA | 0.24706 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | 2.6666 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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