N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
Formula:C12H10N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide |
| MolecularFormula | C12H10N4O2Cl2 |
| Smiles | O=C(CC(NN1)=CC1=O)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C12H10Cl2N4O2/c13-9-2-1-7(3-10(9)14)6-15-17-11(19)4-8-5-12(20)18-16-8/h1-3,5-6H,4H2,(H,17,19)(H2,16,18,20) |
| InChIK | RZKMYHRKTBZFQK-UHFFFAOYSA-N |
| TotalMolweight | 313.143 |
| Molweight | 313.143 |
| MonoisotopicMass | 312.01808 |
| CLogP | 1.0432 |
| CLogS | -4.593 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 223.71 |
| Relative PSA | 0.32171 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 3.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
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