N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]cyclopropanecarboxamide
Formula:C12H12N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C12H12N2O2F2 |
| Smiles | O=C(C1CC1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C12H12F2N2O2/c13-12(14)18-10-5-1-8(2-6-10)7-15-16-11(17)9-3-4-9/h1-2,5-7,9,12H,3-4H2,(H,16,17) |
| InChIK | OPCXSMHCTVBUAC-UHFFFAOYSA-N |
| TotalMolweight | 254.235 |
| Molweight | 254.235 |
| MonoisotopicMass | 254.086684 |
| CLogP | 2.2453 |
| CLogS | -3.689 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 188.95 |
| Relative PSA | 0.2435 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.8027 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]cyclopropanecarboxamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]cyclopropanecarboxamide
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