2-[1-[(Z)-1-[2-(difluoromethoxy)phenyl]-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Formula:C24H15N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(Z)-1-[2-(difluoromethoxy)phenyl]-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile is a drug-like molecule.
| MolName | 2-[1-[(Z)-1-[2-(difluoromethoxy)phenyl]-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile |
| MolecularFormula | C24H15N3O2F2 |
| Smiles | N#CC(C#N)=C(C=CC=C1)N1/C(/C(c1ccccc1)=O)=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C24H15F2N3O2/c25-24(26)31-22-12-5-4-10-18(22)14-21(23(30)17-8-2-1-3-9-17)29-13-7-6-11-20(29)19(15-27)16-28/h1-14,24H |
| InChIK | CHHJXBNPJWNLJY-UHFFFAOYSA-N |
| TotalMolweight | 415.398 |
| Molweight | 415.398 |
| MonoisotopicMass | 415.113233 |
| CLogP | 4.082 |
| CLogS | -6.145 |
| H Acceptors | 5 |
| TotalSurfaceArea | 326.82 |
| Relative PSA | 0.16434 |
| PolarSurfaceArea | 77.12 |
| Druglikeness | -9.0806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; 1,1-dinitrile |
| Shape Index | 0.3871 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(Z)-1-[2-(difluoromethoxy)phenyl]-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2 - 2-[1-[(Z)-1-[2-(difluoromethoxy)phenyl]-3-oxo-3-phenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
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