2-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]guanidine
Formula:C19H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]guanidine |
| MolecularFormula | C19H16N6O |
| Smiles | NC(N)=N/N=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C19H16N6O/c20-19(21)23-22-11-14-12-25(15-7-2-1-3-8-15)24-18(14)17-10-13-6-4-5-9-16(13)26-17/h1-12H,(H4,20,21,23) |
| InChIK | GTEKGVYXHAIOTC-UHFFFAOYSA-N |
| TotalMolweight | 344.377 |
| Molweight | 344.377 |
| MonoisotopicMass | 344.138559 |
| CLogP | 3.3349 |
| CLogS | -5.354 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 269.8 |
| Relative PSA | 0.31694 |
| PolarSurfaceArea | 107.72 |
| Druglikeness | 3.5446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; 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 | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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