(1R,2R)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C21H17N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1R,2R)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R,2R)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C21H17N2O2F |
| Smiles | O=C([C@H](C1)[C@@H]1c1ccccc1)N/N=C\c1ccc(-c(cccc2)c2F)o1 |
| InChI | InChI=1S/C21H17FN2O2/c22-19-9-5-4-8-16(19)20-11-10-15(26-20)13-23-24-21(25)18-12-17(18)14-6-2-1-3-7-14/h1-11,13,17-18H,12H2,(H,24,25)/t17-,18-/m1/s1 |
| InChIK | FTQMTXLKYAXXCU-QZTJIDSGSA-N |
| TotalMolweight | 348.376 |
| Molweight | 348.376 |
| MonoisotopicMass | 348.127406 |
| CLogP | 4.86 |
| CLogS | -6.074 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.05 |
| Relative PSA | 0.18698 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.1975 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (1R,2R)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide | 2 - (1R,2R)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
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