N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C13H10N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C13H10N5O3F3 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)c1)=O |
| InChI | InChI=1S/C13H10F3N5O3/c14-13(15,16)11-4-5-20(19-11)8-12(22)18-17-7-9-2-1-3-10(6-9)21(23)24/h1-7H,8H2,(H,18,22) |
| InChIK | HKFMTLPRFFXVMV-UHFFFAOYSA-N |
| TotalMolweight | 341.248 |
| Molweight | 341.248 |
| MonoisotopicMass | 341.073574 |
| CLogP | 0.7392 |
| CLogS | -3.217 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 241.84 |
| Relative PSA | 0.34845 |
| PolarSurfaceArea | 105.1 |
| Druglikeness | -10.533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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