2-[(Z)-3-phenylprop-2-ynylideneamino]guanidine
Formula:C10H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-3-phenylprop-2-ynylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-3-phenylprop-2-ynylideneamino]guanidine |
| MolecularFormula | C10H10N4 |
| Smiles | NC(N)=N/N=C\C#Cc1ccccc1 |
| InChI | InChI=1S/C10H10N4/c11-10(12)14-13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,(H4,11,12,14) |
| InChIK | VDSMQYBSXTYDPD-UHFFFAOYSA-N |
| TotalMolweight | 186.217 |
| Molweight | 186.217 |
| MonoisotopicMass | 186.090546 |
| CLogP | 1.8223 |
| CLogS | -3.669 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 167.83 |
| Relative PSA | 0.31913 |
| PolarSurfaceArea | 76.76 |
| Druglikeness | -2.1391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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