2-cyano-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C11H8N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C11H8N3OF3 |
| Smiles | N#CCC(N/N=C\c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C11H8F3N3O/c12-11(13,14)9-3-1-8(2-4-9)7-16-17-10(18)5-6-15/h1-4,7H,5H2,(H,17,18) |
| InChIK | HLKXLHSIIXUFIZ-UHFFFAOYSA-N |
| TotalMolweight | 255.199 |
| Molweight | 255.199 |
| MonoisotopicMass | 255.061946 |
| CLogP | 2.3061 |
| CLogS | -3.747 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.16 |
| Relative PSA | 0.25796 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -10.059 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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