[(Z)-[(Z)-3-(hydroxyamino)-2-phenylprop-2-enylidene]amino]urea
Formula:C10H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(Z)-3-(hydroxyamino)-2-phenylprop-2-enylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(Z)-3-(hydroxyamino)-2-phenylprop-2-enylidene]amino]urea |
| MolecularFormula | C10H12N4O2 |
| Smiles | NC(N/N=C\C(\c1ccccc1)=C/NO)=O |
| InChI | InChI=1S/C10H12N4O2/c11-10(15)14-12-6-9(7-13-16)8-4-2-1-3-5-8/h1-7,13,16H,(H3,11,14,15) |
| InChIK | BQPCARWHDVPLRI-UHFFFAOYSA-N |
| TotalMolweight | 220.231 |
| Molweight | 220.231 |
| MonoisotopicMass | 220.096026 |
| CLogP | -0.5157 |
| CLogS | -2.785 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 178.27 |
| Relative PSA | 0.42542 |
| PolarSurfaceArea | 99.74 |
| Druglikeness | 4.428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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