(1S,2S,6R,7R)-4-[(Z)-(2-chlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C18H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(1S,2S,6R,7R)-4-[(Z)-(2-chlorophenyl)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-chlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C18H15N2O2Cl |
| Smiles | O=C([C@H]([C@@H]1C2=O)[C@@H]3C=C[C@H]1C31CC1)N2/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H15ClN2O2/c19-13-4-2-1-3-10(13)9-20-21-16(22)14-11-5-6-12(15(14)17(21)23)18(11)7-8-18/h1-6,9,11-12,14-15H,7-8H2/t11-,12-,14-,15+/m1/s1 |
| InChIK | RWKOTIBHCJTIHZ-GBOPCIDUSA-N |
| TotalMolweight | 326.782 |
| Molweight | 326.782 |
| MonoisotopicMass | 326.082205 |
| CLogP | 2.6521 |
| CLogS | -4.427 |
| H Acceptors | 4 |
| TotalSurfaceArea | 219.67 |
| Relative PSA | 0.18728 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 5.095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-chlorophenyl)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-chlorophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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