N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropanecarboxamide
Formula:C12H11N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C12H11N2OF3 |
| Smiles | O=C(C1CC1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C12H11F3N2O/c13-12(14,15)10-5-1-8(2-6-10)7-16-17-11(18)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,17,18) |
| InChIK | RICSAFZYTCJLTP-UHFFFAOYSA-N |
| TotalMolweight | 256.226 |
| Molweight | 256.226 |
| MonoisotopicMass | 256.082347 |
| CLogP | 2.9242 |
| CLogS | -3.845 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 183.21 |
| Relative PSA | 0.19655 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.4692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropanecarboxamide
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