N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C22H18N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C22H18N3O4F |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(cc2)ccc2OCc(cc2)ccc2F)=O)cc1)=O |
| InChI | InChI=1S/C22H18FN3O4/c23-19-7-1-18(2-8-19)15-30-21-11-5-17(6-12-21)14-24-25-22(27)13-16-3-9-20(10-4-16)26(28)29/h1-12,14H,13,15H2,(H,25,27) |
| InChIK | LWPJFOGPYXRIMA-UHFFFAOYSA-N |
| TotalMolweight | 407.4 |
| Molweight | 407.4 |
| MonoisotopicMass | 407.128135 |
| CLogP | 3.727 |
| CLogS | -5.801 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 314.29 |
| Relative PSA | 0.24318 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.4288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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