2-hydroxy-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
Formula:C28H20N3O5F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-2,2-diphenylacetamide |
| MolecularFormula | C28H20N3O5F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc1ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)cc1)=O |
| InChI | InChI=1S/C28H20F3N3O5/c29-28(30,31)22-13-16-25(24(17-22)34(37)38)39-23-14-11-19(12-15-23)18-32-33-26(35)27(36,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-18,36H,(H,33,35) |
| InChIK | AKWMFWOYMMGBPX-UHFFFAOYSA-N |
| TotalMolweight | 535.477 |
| Molweight | 535.477 |
| MonoisotopicMass | 535.135506 |
| CLogP | 4.8042 |
| CLogS | -7.962 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 386.4 |
| Relative PSA | 0.2317 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -6.9348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 12 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-2,2-diphenylacetamide | 2 - 2-hydroxy-N-[(Z)-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
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