4-[(Z)-(5-iodofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C16H13N2O3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-(5-iodofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
| MolName | 4-[(Z)-(5-iodofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C16H13N2O3I |
| Smiles | O=C(C(C1C2=O)C3C=CC1C31CC1)N2/N=C\c(o1)ccc1I |
| InChI | InChI=1S/C16H13IN2O3/c17-11-4-1-8(22-11)7-18-19-14(20)12-9-2-3-10(13(12)15(19)21)16(9)5-6-16/h1-4,7,9-10,12-13H,5-6H2 |
| InChIK | IGDMRORWPZKYBQ-UHFFFAOYSA-N |
| TotalMolweight | 408.19 |
| Molweight | 408.19 |
| MonoisotopicMass | 407.997091 |
| CLogP | 1.7693 |
| CLogS | -4.152 |
| H Acceptors | 5 |
| TotalSurfaceArea | 220.22 |
| Relative PSA | 0.25089 |
| PolarSurfaceArea | 62.88 |
| Druglikeness | 7.7094 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(Z)-(5-iodofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - 4-[(Z)-(5-iodofuran-2-yl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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