N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C23H14N3O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C23H14N3O5F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=N\NC(c2cc(cccc3)c3o2)=O)cc1)=O |
| InChI | InChI=1S/C23H14F3N3O5/c24-23(25,26)16-7-10-20(18(12-16)29(31)32)33-17-8-5-14(6-9-17)13-27-28-22(30)21-11-15-3-1-2-4-19(15)34-21/h1-13H,(H,28,30) |
| InChIK | NYACYFUAAHQBPQ-UHFFFAOYSA-N |
| TotalMolweight | 469.374 |
| Molweight | 469.374 |
| MonoisotopicMass | 469.088556 |
| CLogP | 5.0295 |
| CLogS | -8.439 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 334.17 |
| Relative PSA | 0.27094 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -7.5848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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