(Z)-3-(furan-2-yl)-1-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one
Formula:C21H15N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(furan-2-yl)-1-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(furan-2-yl)-1-[4-(5-phenyltriazol-1-yl)phenyl]prop-2-en-1-one |
| MolecularFormula | C21H15N3O2 |
| Smiles | O=C(/C=C\c1ccco1)c(cc1)ccc1-n1nncc1-c1ccccc1 |
| InChI | InChI=1S/C21H15N3O2/c25-21(13-12-19-7-4-14-26-19)17-8-10-18(11-9-17)24-20(15-22-23-24)16-5-2-1-3-6-16/h1-15H |
| InChIK | MVBNDUQXVVTWDY-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 3.0571 |
| CLogS | -5.024 |
| H Acceptors | 5 |
| TotalSurfaceArea | 273.2 |
| Relative PSA | 0.20483 |
| PolarSurfaceArea | 60.92 |
| Druglikeness | -2.1598 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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