1-carbamoyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
Formula:C7H7N5O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
1-carbamoyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-carbamoyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea |
| MolecularFormula | C7H7N5O5 |
| Smiles | NC(NC(N/N=C/c1ccc([N+]([O-])=O)o1)=O)=O |
| InChI | InChI=1S/C7H7N5O5/c8-6(13)10-7(14)11-9-3-4-1-2-5(17-4)12(15)16/h1-3H,(H4,8,10,11,13,14) |
| InChIK | JZLKBILQWNXACE-UHFFFAOYSA-N |
| TotalMolweight | 241.163 |
| Molweight | 241.163 |
| MonoisotopicMass | 241.04472 |
| CLogP | -0.4605 |
| CLogS | -3.942 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 178.32 |
| Relative PSA | 0.67469 |
| PolarSurfaceArea | 155.54 |
| Druglikeness | 3.1039 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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