N,N-diphenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline
Formula:C21H17N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N-diphenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline is a drug-like molecule.
| MolName | N,N-diphenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline |
| MolecularFormula | C21H17N5 |
| Smiles | C(c(cc1)ccc1N(c1ccccc1)c1ccccc1)=N\n1cnnc1 |
| InChI | InChI=1S/C21H17N5/c1-3-7-19(8-4-1)26(20-9-5-2-6-10-20)21-13-11-18(12-14-21)15-24-25-16-22-23-17-25/h1-17H |
| InChIK | MBPNNSNUETVZKE-UHFFFAOYSA-N |
| TotalMolweight | 339.401 |
| Molweight | 339.401 |
| MonoisotopicMass | 339.148395 |
| CLogP | 3.8227 |
| CLogS | -8.486 |
| H Acceptors | 5 |
| TotalSurfaceArea | 274.32 |
| Relative PSA | 0.15992 |
| PolarSurfaceArea | 46.31 |
| Druglikeness | 4.212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N,N-diphenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline | 2 - N,N-diphenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline
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