| MolName | [(Z)-[(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-enylidene]amino]urea |
| MolecularFormula | C16H21N3O2 |
| Smiles | NC(N/N=C(\C1(CCCCC1)O)/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C16H21N3O2/c17-15(20)19-18-14(16(21)11-5-2-6-12-16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10,21H,2,5-6,11-12H2,(H3,17,19,20) |
| InChIK | XWZQRYLKHUIANS-UHFFFAOYSA-N |
| TotalMolweight | 287.362 |
| Molweight | 287.362 |
| MonoisotopicMass | 287.163377 |
| CLogP | 2.2147 |
| CLogS | -4.196 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 232.52 |
| Relative PSA | 0.27688 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | 0.016173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-enylidene]amino]urea | 2 - [(Z)-[(E)-1-(1-hydroxycyclohexyl)-3-phenylprop-2-enylidene]amino]urea