2-[1-[(Z)-1-(3-fluorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Formula:C23H14N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(Z)-1-(3-fluorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile is a drug-like molecule.
| MolName | 2-[1-[(Z)-1-(3-fluorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile |
| MolecularFormula | C23H14N3OF |
| Smiles | N#CC(C#N)=C(C=CC=C1)N1/C(/C(c1ccccc1)=O)=C\c1cccc(F)c1 |
| InChI | InChI=1S/C23H14FN3O/c24-20-10-6-7-17(13-20)14-22(23(28)18-8-2-1-3-9-18)27-12-5-4-11-21(27)19(15-25)16-26/h1-14H |
| InChIK | SBGKBRREGAOPMW-UHFFFAOYSA-N |
| TotalMolweight | 367.382 |
| Molweight | 367.382 |
| MonoisotopicMass | 367.11209 |
| CLogP | 4.0134 |
| CLogS | -5.837 |
| H Acceptors | 4 |
| TotalSurfaceArea | 297.97 |
| Relative PSA | 0.14669 |
| PolarSurfaceArea | 67.89 |
| Druglikeness | -7.659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; 1,1-dinitrile |
| Shape Index | 0.39286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(Z)-1-(3-fluorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2 - 2-[1-[(Z)-1-(3-fluorophenyl)-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
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