(E)-4,6-diphenyl-N-(1,2,4-triazol-4-yl)pyran-2-imine
Formula:C19H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4,6-diphenyl-N-(1,2,4-triazol-4-yl)pyran-2-imine is a drug-like molecule.
| MolName | (E)-4,6-diphenyl-N-(1,2,4-triazol-4-yl)pyran-2-imine |
| MolecularFormula | C19H14N4O |
| Smiles | c1nncn1/N=C1/OC(c2ccccc2)=CC(c2ccccc2)=C1 |
| InChI | InChI=1S/C19H14N4O/c1-3-7-15(8-4-1)17-11-18(16-9-5-2-6-10-16)24-19(12-17)22-23-13-20-21-14-23/h1-14H |
| InChIK | SAGBRIPFMZKWHS-UHFFFAOYSA-N |
| TotalMolweight | 314.347 |
| Molweight | 314.347 |
| MonoisotopicMass | 314.116761 |
| CLogP | 2.6332 |
| CLogS | -5.652 |
| H Acceptors | 5 |
| TotalSurfaceArea | 248.39 |
| Relative PSA | 0.20258 |
| PolarSurfaceArea | 52.3 |
| Druglikeness | 2.7491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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