N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H18N3O5F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H18N3O5F |
| Smiles | [O-][N+](c(cc(cc1)F)c1-c1ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)o1)=O |
| InChI | InChI=1S/C25H18FN3O5/c26-19-11-13-21(22(15-19)29(32)33)23-14-12-20(34-23)16-27-28-24(30)25(31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,31H,(H,28,30) |
| InChIK | RDKFBNNHNJNSDR-UHFFFAOYSA-N |
| TotalMolweight | 459.432 |
| Molweight | 459.432 |
| MonoisotopicMass | 459.12305 |
| CLogP | 3.6 |
| CLogS | -6.661 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 342.98 |
| Relative PSA | 0.27302 |
| PolarSurfaceArea | 120.65 |
| Druglikeness | 1.0281 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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