5-hydroxy-1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Formula:C14H10N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-hydroxy-1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | 5-hydroxy-1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione |
| MolecularFormula | C14H10N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\N(C(C(N2)=O)O)C2=O)o1)=O |
| InChI | InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/t13-/m0/s1 |
| InChIK | PGORTQZSSAZLCK-ZDUSSCGKSA-N |
| TotalMolweight | 330.255 |
| Molweight | 330.255 |
| MonoisotopicMass | 330.060036 |
| CLogP | 0.4621 |
| CLogS | -4.087 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 233.75 |
| Relative PSA | 0.47157 |
| PolarSurfaceArea | 140.96 |
| Druglikeness | 1.7174 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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