N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C13H9N4OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C13H9N4OCl2F3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C13H9Cl2F3N4O/c14-9-2-1-8(5-10(9)15)6-19-20-12(23)7-22-4-3-11(21-22)13(16,17)18/h1-6H,7H2,(H,20,23) |
| InChIK | PBVMUOJEZPKBMR-UHFFFAOYSA-N |
| TotalMolweight | 365.141 |
| Molweight | 365.141 |
| MonoisotopicMass | 364.010549 |
| CLogP | 2.8728 |
| CLogS | -4.229 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.01 |
| Relative PSA | 0.21626 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -5.3924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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