(1S,2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C17H15N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1S,2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C17H15N2OF |
| Smiles | O=C([C@@H](C1)[C@@H]1c1ccccc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H15FN2O/c18-14-8-6-12(7-9-14)11-19-20-17(21)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2,(H,20,21)/t15-,16+/m1/s1 |
| InChIK | NCBTUQNFIUKSKN-CVEARBPZSA-N |
| TotalMolweight | 282.317 |
| Molweight | 282.317 |
| MonoisotopicMass | 282.116841 |
| CLogP | 3.9211 |
| CLogS | -4.614 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.6 |
| Relative PSA | 0.16473 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (1S,2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide | 2 - (1S,2R)-N-[(Z)-(4-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
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