2-(4-nitrophenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C16H12N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-nitrophenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-nitrophenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C16H12N3O3F3 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c2c(C(F)(F)F)cccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H12F3N3O3/c17-16(18,19)14-4-2-1-3-12(14)10-20-21-15(23)9-11-5-7-13(8-6-11)22(24)25/h1-8,10H,9H2,(H,21,23) |
| InChIK | XWUARQKYUYBING-UHFFFAOYSA-N |
| TotalMolweight | 351.283 |
| Molweight | 351.283 |
| MonoisotopicMass | 351.083076 |
| CLogP | 3.1264 |
| CLogS | -4.924 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.88 |
| Relative PSA | 0.26166 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -7.9841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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