(1R,2R)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C21H16N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1R,2R)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1R,2R)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C21H16N2O2Cl2 |
| Smiles | O=C([C@H](C1)[C@@H]1c1ccccc1)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C21H16Cl2N2O2/c22-14-6-8-16(19(23)10-14)20-9-7-15(27-20)12-24-25-21(26)18-11-17(18)13-4-2-1-3-5-13/h1-10,12,17-18H,11H2,(H,25,26)/t17-,18-/m1/s1 |
| InChIK | IGTZBZJFHNENRA-QZTJIDSGSA-N |
| TotalMolweight | 399.276 |
| Molweight | 399.276 |
| MonoisotopicMass | 398.058882 |
| CLogP | 5.9712 |
| CLogS | -7.232 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.54 |
| Relative PSA | 0.17133 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 7.5678 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide | 2 - (1R,2R)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
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