1-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
Formula:C10H8N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | 1-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione |
| MolecularFormula | C10H8N4O5 |
| Smiles | [O-][N+](c1ccc(/C=C/C=N\N(CC(N2)=O)C2=O)o1)=O |
| InChI | InChI=1S/C10H8N4O5/c15-8-6-13(10(16)12-8)11-5-1-2-7-3-4-9(19-7)14(17)18/h1-5H,6H2,(H,12,15,16) |
| InChIK | DECBQELQORZLLP-UHFFFAOYSA-N |
| TotalMolweight | 264.197 |
| Molweight | 264.197 |
| MonoisotopicMass | 264.049471 |
| CLogP | -0.5679 |
| CLogS | -3.312 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 195.4 |
| Relative PSA | 0.49708 |
| PolarSurfaceArea | 120.73 |
| Druglikeness | 2.4993 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione | 2 - 1-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off