N-[(E)-[1-amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino]-2-cyanoacetamide
Formula:C11H9N5OClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-[1-amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(E)-[1-amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino]-2-cyanoacetamide |
| MolecularFormula | C11H9N5OClF3S |
| Smiles | N/C(/CSc(ncc(C(F)(F)F)c1)c1Cl)=N/NC(CC#N)=O |
| InChI | InChI=1S/C11H9ClF3N5OS/c12-7-3-6(11(13,14)15)4-18-10(7)22-5-8(17)19-20-9(21)1-2-16/h3-4H,1,5H2,(H2,17,19)(H,20,21) |
| InChIK | JULXKUYYOAUVON-UHFFFAOYSA-N |
| TotalMolweight | 351.739 |
| Molweight | 351.739 |
| MonoisotopicMass | 351.016841 |
| CLogP | 1.3754 |
| CLogS | -3.758 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 244.32 |
| Relative PSA | 0.38188 |
| PolarSurfaceArea | 129.46 |
| Druglikeness | -10.909 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[1-amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino]-2-cyanoacetamide | 2 - N-[(E)-[1-amino-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino]-2-cyanoacetamide
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