(2Z,4E)-2-cyano-5-(2-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]penta-2,4-dienamide
Formula:C19H12N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,4E)-2-cyano-5-(2-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]penta-2,4-dienamide is a drug-like molecule.
| MolName | (2Z,4E)-2-cyano-5-(2-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]penta-2,4-dienamide |
| MolecularFormula | C19H12N3O3F3 |
| Smiles | N#C/C(/C(Nc1cccc(C(F)(F)F)c1)=O)=C/C=C/c(cccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C19H12F3N3O3/c20-19(21,22)15-8-4-9-16(11-15)24-18(26)14(12-23)7-3-6-13-5-1-2-10-17(13)25(27)28/h1-11H,(H,24,26) |
| InChIK | HYSKBESAOVJLRZ-UHFFFAOYSA-N |
| TotalMolweight | 387.316 |
| Molweight | 387.316 |
| MonoisotopicMass | 387.083076 |
| CLogP | 3.5716 |
| CLogS | -5.32 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.28 |
| Relative PSA | 0.23755 |
| PolarSurfaceArea | 98.71 |
| Druglikeness | -13.819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z,4E)-2-cyano-5-(2-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]penta-2,4-dienamide | 2 - (2Z,4E)-2-cyano-5-(2-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]penta-2,4-dienamide
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