1-(2-hydroxyethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
Formula:C10H12N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(2-hydroxyethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one is a drug-like molecule.
| MolName | 1-(2-hydroxyethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one |
| MolecularFormula | C10H12N4O5 |
| Smiles | [O-][N+](c1ccc(/C=N\N(CCN2CCO)C2=O)o1)=O |
| InChI | InChI=1S/C10H12N4O5/c15-6-5-12-3-4-13(10(12)16)11-7-8-1-2-9(19-8)14(17)18/h1-2,7,15H,3-6H2 |
| InChIK | VDDRCCQKLVNYHQ-UHFFFAOYSA-N |
| TotalMolweight | 268.228 |
| Molweight | 268.228 |
| MonoisotopicMass | 268.080771 |
| CLogP | -0.2875 |
| CLogS | -2.469 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 197.62 |
| Relative PSA | 0.45178 |
| PolarSurfaceArea | 115.1 |
| Druglikeness | 4.9542 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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