[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]urea
Formula:C8H9N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]urea |
| MolecularFormula | C8H9N3O2 |
| Smiles | NC(N/N=C\C=C\c1ccco1)=O |
| InChI | InChI=1S/C8H9N3O2/c9-8(12)11-10-5-1-3-7-4-2-6-13-7/h1-6H,(H3,9,11,12) |
| InChIK | DDGUCOCCCYXUCX-UHFFFAOYSA-N |
| TotalMolweight | 179.178 |
| Molweight | 179.178 |
| MonoisotopicMass | 179.069477 |
| CLogP | 0.3423 |
| CLogS | -2.788 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 151.94 |
| Relative PSA | 0.43037 |
| PolarSurfaceArea | 80.62 |
| Druglikeness | 4.0817 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Amides | 1 |
| StereoCon |
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