(E)-1-phenyl-3-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one
Formula:C23H17N3O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-1-phenyl-3-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one |
| MolecularFormula | C23H17N3O |
| Smiles | O=C(/C=C/c(cc1)ccc1-n1nncc1-c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H17N3O/c27-23(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)26-22(17-24-25-26)19-7-3-1-4-8-19/h1-17H |
| InChIK | WWEGTVSYRXLRAU-UHFFFAOYSA-N |
| TotalMolweight | 351.408 |
| Molweight | 351.408 |
| MonoisotopicMass | 351.137162 |
| CLogP | 3.8684 |
| CLogS | -5.342 |
| H Acceptors | 4 |
| TotalSurfaceArea | 283.51 |
| Relative PSA | 0.14761 |
| PolarSurfaceArea | 47.78 |
| Druglikeness | -1.9711 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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