(E)-2-(benzotriazol-1-yl)-N,3-diphenylprop-2-enamide
Formula:C21H16N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(benzotriazol-1-yl)-N,3-diphenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-(benzotriazol-1-yl)-N,3-diphenylprop-2-enamide |
| MolecularFormula | C21H16N4O |
| Smiles | O=C(/C(/n1nnc2c1cccc2)=C\c1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C21H16N4O/c26-21(22-17-11-5-2-6-12-17)20(15-16-9-3-1-4-10-16)25-19-14-8-7-13-18(19)23-24-25/h1-15H,(H,22,26) |
| InChIK | BJMSITABPHLNOA-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 3.9459 |
| CLogS | -5.197 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.02 |
| Relative PSA | 0.1989 |
| PolarSurfaceArea | 59.81 |
| Druglikeness | -1.0776 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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