4-[(4-fluorophenyl)methoxy]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C25H18N3O5F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(4-fluorophenyl)methoxy]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(4-fluorophenyl)methoxy]-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C25H18N3O5F |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\NC(c(cc3)ccc3OCc(cc3)ccc3F)=O)o2)c1)=O |
| InChI | InChI=1S/C25H18FN3O5/c26-20-8-4-17(5-9-20)16-33-22-10-6-18(7-11-22)25(30)28-27-15-23-12-13-24(34-23)19-2-1-3-21(14-19)29(31)32/h1-15H,16H2,(H,28,30) |
| InChIK | QPFGMNLFGNRXIZ-UHFFFAOYSA-N |
| TotalMolweight | 459.432 |
| Molweight | 459.432 |
| MonoisotopicMass | 459.12305 |
| CLogP | 4.6678 |
| CLogS | -7.296 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 349.98 |
| Relative PSA | 0.2587 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.15642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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