N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]-2-cyanoacetamide
Formula:C11H11N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]-2-cyanoacetamide |
| MolecularFormula | C11H11N4O2F |
| Smiles | N/C(/COc(cc1)ccc1F)=N/NC(CC#N)=O |
| InChI | InChI=1S/C11H11FN4O2/c12-8-1-3-9(4-2-8)18-7-10(14)15-16-11(17)5-6-13/h1-4H,5,7H2,(H2,14,15)(H,16,17) |
| InChIK | JBUSIWBFRNIWID-UHFFFAOYSA-N |
| TotalMolweight | 250.232 |
| Molweight | 250.232 |
| MonoisotopicMass | 250.086604 |
| CLogP | 0.2875 |
| CLogS | -2.828 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 199.54 |
| Relative PSA | 0.37506 |
| PolarSurfaceArea | 100.5 |
| Druglikeness | -5.7541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]-2-cyanoacetamide | 2 - N-[(E)-[1-amino-2-(4-fluorophenoxy)ethylidene]amino]-2-cyanoacetamide
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