2-[2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]phenoxy]acetate
Formula:C17H18N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]phenoxy]acetate |
| MolecularFormula | C17H18N3O5 |
| Smiles | [O-]C(COc1c(/C=N\N(C(C2(CCCCC2)N2)=O)C2=O)cccc1)=O |
| InChI | InChI=1S/C17H19N3O5/c21-14(22)11-25-13-7-3-2-6-12(13)10-18-20-15(23)17(19-16(20)24)8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,19,24)(H,21,22)/p-1 |
| InChIK | RHZCEBBGBIGBJU-UHFFFAOYSA-M |
| TotalMolweight | 344.346 |
| Molweight | 344.346 |
| MonoisotopicMass | 344.124647 |
| CLogP | -0.8652 |
| CLogS | -3.529 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 256.53 |
| Relative PSA | 0.35052 |
| PolarSurfaceArea | 111.13 |
| Druglikeness | 1.5696 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]phenoxy]acetate
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