(1S,2S,6R,7R)-4-[(Z)-(2-iodophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Formula:C17H15N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(1S,2S,6R,7R)-4-[(Z)-(2-iodophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is a drug-like molecule.
| MolName | (1S,2S,6R,7R)-4-[(Z)-(2-iodophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione |
| MolecularFormula | C17H15N2O2I |
| Smiles | O=C([C@H]1[C@@H](CC2)C=C[C@@H]2[C@H]1C1=O)N1/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C17H15IN2O2/c18-13-4-2-1-3-12(13)9-19-20-16(21)14-10-5-6-11(8-7-10)15(14)17(20)22/h1-6,9-11,14-15H,7-8H2/t10-,11+,14-,15+ |
| InChIK | GVEOHOQTPSOLTP-HGSJOUDDSA-N |
| TotalMolweight | 406.218 |
| Molweight | 406.218 |
| MonoisotopicMass | 406.017826 |
| CLogP | 2.5176 |
| CLogS | -4.554 |
| H Acceptors | 4 |
| TotalSurfaceArea | 233.62 |
| Relative PSA | 0.1761 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 4.2623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,2S,6R,7R)-4-[(Z)-(2-iodophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione | 2 - (1S,2S,6R,7R)-4-[(Z)-(2-iodophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
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