| MolName | [(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea |
| MolecularFormula | C19H15N5O2 |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O |
| InChI | InChI=1S/C19H15N5O2/c20-19(25)22-21-11-14-12-24(15-7-2-1-3-8-15)23-18(14)17-10-13-6-4-5-9-16(13)26-17/h1-12H,(H3,20,22,25) |
| InChIK | RDCZZSMEDVUTIH-UHFFFAOYSA-N |
| TotalMolweight | 345.361 |
| Molweight | 345.361 |
| MonoisotopicMass | 345.122575 |
| CLogP | 2.5969 |
| CLogS | -5.178 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 267.52 |
| Relative PSA | 0.31112 |
| PolarSurfaceArea | 98.44 |
| Druglikeness | 5.7342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea | 2 - [(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]urea