N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Formula:C12H11N5O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C12H11N5O2F2 |
| Smiles | O=C(Cn1ncnc1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C12H11F2N5O2/c13-12(14)21-10-4-2-1-3-9(10)5-16-18-11(20)6-19-8-15-7-17-19/h1-5,7-8,12H,6H2,(H,18,20) |
| InChIK | FZEVCPWYHNXXLM-UHFFFAOYSA-N |
| TotalMolweight | 295.248 |
| Molweight | 295.248 |
| MonoisotopicMass | 295.088081 |
| CLogP | 0.8042 |
| CLogS | -2.954 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 222.67 |
| Relative PSA | 0.33601 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 3.5311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
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