N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C15H10N3O2Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C15H10N3O2Cl2F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1cccc(Cl)c1Cl |
| InChI | InChI=1S/C15H10Cl2F3N3O2/c16-11-3-1-2-9(14(11)17)6-21-22-12(24)8-23-7-10(15(18,19)20)4-5-13(23)25/h1-7H,8H2,(H,22,24) |
| InChIK | RSTLNESUYUGKOM-UHFFFAOYSA-N |
| TotalMolweight | 392.163 |
| Molweight | 392.163 |
| MonoisotopicMass | 391.010215 |
| CLogP | 3.2117 |
| CLogS | -4.944 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.05 |
| Relative PSA | 0.19697 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -1.7777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide | 2 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
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