N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C26H20N3O5F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C26H20N3O5F |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1F)=O)=O |
| InChI | InChI=1S/C26H20FN3O5/c27-20-12-9-18(10-13-20)16-34-24-14-11-19-5-1-2-6-21(19)22(24)15-28-29-26(31)17-35-25-8-4-3-7-23(25)30(32)33/h1-15H,16-17H2,(H,29,31) |
| InChIK | RDVKXQYHBONNET-UHFFFAOYSA-N |
| TotalMolweight | 473.459 |
| Molweight | 473.459 |
| MonoisotopicMass | 473.1387 |
| CLogP | 4.4982 |
| CLogS | -7.222 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 358.89 |
| Relative PSA | 0.24083 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -2.2724 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide | 2 - N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2-nitrophenoxy)acetamide
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