N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[2-(trifluoromethyl)anilino]acetamide
Formula:C18H15N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[2-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[2-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C18H15N4O3F3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(CNc2c(C(F)(F)F)cccc2)=O)cccc1)=O |
| InChI | InChI=1S/C18H15F3N4O3/c19-18(20,21)14-8-2-3-9-15(14)22-12-17(26)24-23-11-5-7-13-6-1-4-10-16(13)25(27)28/h1-11,22H,12H2,(H,24,26) |
| InChIK | LVBNIESMRYKRBZ-UHFFFAOYSA-N |
| TotalMolweight | 392.336 |
| Molweight | 392.336 |
| MonoisotopicMass | 392.109625 |
| CLogP | 2.4385 |
| CLogS | -5.073 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 291.84 |
| Relative PSA | 0.26689 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -7.2634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[2-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-[2-(trifluoromethyl)anilino]acetamide
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