(E)-2-benzoyl-3-(furan-2-yl)prop-2-enenitrile
Formula:C14H9NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-benzoyl-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-benzoyl-3-(furan-2-yl)prop-2-enenitrile |
| MolecularFormula | C14H9NO2 |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c1ccco1 |
| InChI | InChI=1S/C14H9NO2/c15-10-12(9-13-7-4-8-17-13)14(16)11-5-2-1-3-6-11/h1-9H |
| InChIK | RYSPQOWNCYWAQP-UHFFFAOYSA-N |
| TotalMolweight | 223.23 |
| Molweight | 223.23 |
| MonoisotopicMass | 223.063329 |
| CLogP | 2.3445 |
| CLogS | -3.794 |
| H Acceptors | 3 |
| TotalSurfaceArea | 186.88 |
| Relative PSA | 0.21784 |
| PolarSurfaceArea | 54 |
| Druglikeness | -3.9783 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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