1,2-bis[(Z)-benzylideneamino]-3-[(E)-benzylideneamino]guanidine
Formula:C22H20N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1,2-bis[(Z)-benzylideneamino]-3-[(E)-benzylideneamino]guanidine is not a drug-like molecule.
| MolName | 1,2-bis[(Z)-benzylideneamino]-3-[(E)-benzylideneamino]guanidine |
| MolecularFormula | C22H20N6 |
| Smiles | C(c1ccccc1)=N/N/C(/N/N=C\c1ccccc1)=N\N=C/c1ccccc1 |
| InChI | InChI=1S/C22H20N6/c1-4-10-19(11-5-1)16-23-26-22(27-24-17-20-12-6-2-7-13-20)28-25-18-21-14-8-3-9-15-21/h1-18H,(H2,26,27,28) |
| InChIK | SSXKGMZGFGMDHX-UHFFFAOYSA-N |
| TotalMolweight | 368.443 |
| Molweight | 368.443 |
| MonoisotopicMass | 368.174944 |
| CLogP | 6.7827 |
| CLogS | -7.022 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 312.95 |
| Relative PSA | 0.22035 |
| PolarSurfaceArea | 73.5 |
| Druglikeness | 3.1356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1,2-bis[(Z)-benzylideneamino]-3-[(E)-benzylideneamino]guanidine | 2 - 1,2-bis[(Z)-benzylideneamino]-3-[(E)-benzylideneamino]guanidine
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