N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2,2,2-trifluoroacetamide
Formula:C9H5N3O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2,2,2-trifluoroacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2,2,2-trifluoroacetamide |
| MolecularFormula | C9H5N3O3ClF3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(C(F)(F)F)=O)c1Cl)=O |
| InChI | InChI=1S/C9H5ClF3N3O3/c10-7-2-1-6(16(18)19)3-5(7)4-14-15-8(17)9(11,12)13/h1-4H,(H,15,17) |
| InChIK | QEQVYHYZTAMNDE-UHFFFAOYSA-N |
| TotalMolweight | 295.604 |
| Molweight | 295.604 |
| MonoisotopicMass | 294.997153 |
| CLogP | 1.9265 |
| CLogS | -4.487 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 195.78 |
| Relative PSA | 0.33931 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -28.121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2,2,2-trifluoroacetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2,2,2-trifluoroacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off