2,4-dinitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline
Formula:C17H12N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,4-dinitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline is a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]aniline |
| MolecularFormula | C17H12N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccc(-c2ccccc2)o1)=O |
| InChI | InChI=1S/C17H12N4O5/c22-20(23)13-6-8-15(16(10-13)21(24)25)19-18-11-14-7-9-17(26-14)12-4-2-1-3-5-12/h1-11,19H |
| InChIK | LILRECOGHJYYSP-UHFFFAOYSA-N |
| TotalMolweight | 352.305 |
| Molweight | 352.305 |
| MonoisotopicMass | 352.080771 |
| CLogP | 3.9366 |
| CLogS | -5.529 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 266.03 |
| Relative PSA | 0.36808 |
| PolarSurfaceArea | 129.17 |
| Druglikeness | -0.77506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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