N-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline
Formula:C15H13N5
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
N-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline is a drug-like molecule.
| MolName | N-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline |
| MolecularFormula | C15H13N5 |
| Smiles | C(c(cc1)ccc1Nc1ccccc1)=N\n1cnnc1 |
| InChI | InChI=1S/C15H13N5/c1-2-4-14(5-3-1)19-15-8-6-13(7-9-15)10-18-20-11-16-17-12-20/h1-12,19H |
| InChIK | GJYSMNBBILCDOW-UHFFFAOYSA-N |
| TotalMolweight | 263.303 |
| Molweight | 263.303 |
| MonoisotopicMass | 263.117095 |
| CLogP | 2.7587 |
| CLogS | -5.888 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 215.72 |
| Relative PSA | 0.24003 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 3.9741 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline | 2 - N-phenyl-4-[(Z)-1,2,4-triazol-4-yliminomethyl]aniline
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