2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
Formula:C17H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine |
| MolecularFormula | C17H16N6 |
| Smiles | NC(N)=N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C17H16N6/c18-17(19)21-20-11-14-12-23(15-9-5-2-6-10-15)22-16(14)13-7-3-1-4-8-13/h1-12H,(H4,18,19,21) |
| InChIK | NMGWKCHTMNJLNC-UHFFFAOYSA-N |
| TotalMolweight | 304.356 |
| Molweight | 304.356 |
| MonoisotopicMass | 304.143644 |
| CLogP | 2.7923 |
| CLogS | -4.503 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.51 |
| Relative PSA | 0.29082 |
| PolarSurfaceArea | 94.58 |
| Druglikeness | 3.6819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine | 2 - 2-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]guanidine
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