4-[(Z)-(3-iodophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C18H15N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-(3-iodophenyl)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)-(3-iodophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C18H15N2O2I |
| Smiles | O=C(C(C1C2=O)C3C=CC1C31CC1)N2/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C18H15IN2O2/c19-11-3-1-2-10(8-11)9-20-21-16(22)14-12-4-5-13(15(14)17(21)23)18(12)6-7-18/h1-5,8-9,12-15H,6-7H2 |
| InChIK | MCEBTRGRRDPGCD-UHFFFAOYSA-N |
| TotalMolweight | 418.229 |
| Molweight | 418.229 |
| MonoisotopicMass | 418.017826 |
| CLogP | 2.4832 |
| CLogS | -4.707 |
| H Acceptors | 4 |
| TotalSurfaceArea | 230.53 |
| Relative PSA | 0.17846 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 5.4884 |
| 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 | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(Z)-(3-iodophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - 4-[(Z)-(3-iodophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
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