(E)-1-(benzotriazol-1-yl)-1-phenyl-N-pyridin-2-ylmethanimine
Formula:C18H13N5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(benzotriazol-1-yl)-1-phenyl-N-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-1-(benzotriazol-1-yl)-1-phenyl-N-pyridin-2-ylmethanimine |
| MolecularFormula | C18H13N5 |
| Smiles | c(cc1)ccc1/C(/n1nnc2c1cccc2)=N\c1ncccc1 |
| InChI | InChI=1S/C18H13N5/c1-2-8-14(9-3-1)18(20-17-12-6-7-13-19-17)23-16-11-5-4-10-15(16)21-22-23/h1-13H |
| InChIK | WILZUAYPBKYPPV-UHFFFAOYSA-N |
| TotalMolweight | 299.336 |
| Molweight | 299.336 |
| MonoisotopicMass | 299.117095 |
| CLogP | 3.3518 |
| CLogS | -5.208 |
| H Acceptors | 5 |
| TotalSurfaceArea | 235.83 |
| Relative PSA | 0.21749 |
| PolarSurfaceArea | 55.96 |
| Druglikeness | -3.2298 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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