3-[(Z)-(2-iodophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
Formula:C15H16N3O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-(2-iodophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.
| MolName | 3-[(Z)-(2-iodophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione |
| MolecularFormula | C15H16N3O2I |
| Smiles | O=C(C1(CCCCC1)NC1=O)N1/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C15H16IN3O2/c16-12-7-3-2-6-11(12)10-17-19-13(20)15(18-14(19)21)8-4-1-5-9-15/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,21) |
| InChIK | NPLZAWQBCUSPHO-UHFFFAOYSA-N |
| TotalMolweight | 397.211 |
| Molweight | 397.211 |
| MonoisotopicMass | 397.028725 |
| CLogP | 2.5879 |
| CLogS | -4.752 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 233.77 |
| Relative PSA | 0.22501 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 1.9287 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3-[(Z)-(2-iodophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(2-iodophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
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