2-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]guanidine
Formula:C20H19N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]guanidine |
| MolecularFormula | C20H19N5 |
| Smiles | NC(N)=N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C20H19N5/c21-20(22)24-23-15-16-11-13-19(14-12-16)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,(H4,21,22,24) |
| InChIK | OOGLJFRWZVHCDY-UHFFFAOYSA-N |
| TotalMolweight | 329.406 |
| Molweight | 329.406 |
| MonoisotopicMass | 329.164045 |
| CLogP | 4.4677 |
| CLogS | -7.166 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.85 |
| Relative PSA | 0.21322 |
| PolarSurfaceArea | 80 |
| Druglikeness | 2.6586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 11 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]guanidine
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