(1S,2S,6R,7R)-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C18H14N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(1S,2S,6R,7R)-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
| MolName | (1S,2S,6R,7R)-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C18H14N2O2Cl2 |
| Smiles | O=C([C@H]([C@@H]1C2=O)[C@@H]3C=C[C@H]1C31CC1)N2/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H14Cl2N2O2/c19-10-2-1-9(13(20)7-10)8-21-22-16(23)14-11-3-4-12(15(14)17(22)24)18(11)5-6-18/h1-4,7-8,11-12,14-15H,5-6H2/t11-,12-,14-,15+/m1/s1 |
| InChIK | KEACPEUKFIOBCY-GBOPCIDUSA-N |
| TotalMolweight | 361.227 |
| Molweight | 361.227 |
| MonoisotopicMass | 360.043232 |
| CLogP | 3.2581 |
| CLogS | -5.163 |
| H Acceptors | 4 |
| TotalSurfaceArea | 235.09 |
| Relative PSA | 0.175 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 5.095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,2S,6R,7R)-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - (1S,2S,6R,7R)-4-[(Z)-(2,4-dichlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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