2-[1-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Formula:C23H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile is a drug-like molecule.
| MolName | 2-[1-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile |
| MolecularFormula | C23H15N3O |
| Smiles | N#CC(C#N)=C(C=CC=C1)N1/C(/C(c1ccccc1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C23H15N3O/c24-16-20(17-25)21-13-7-8-14-26(21)22(15-18-9-3-1-4-10-18)23(27)19-11-5-2-6-12-19/h1-15H |
| InChIK | MRKFNRSBBKCYMG-UHFFFAOYSA-N |
| TotalMolweight | 349.392 |
| Molweight | 349.392 |
| MonoisotopicMass | 349.121512 |
| CLogP | 3.9126 |
| CLogS | -5.523 |
| H Acceptors | 4 |
| TotalSurfaceArea | 291.62 |
| Relative PSA | 0.14989 |
| PolarSurfaceArea | 67.89 |
| Druglikeness | -6.319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; 1,1-dinitrile |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile | 2 - 2-[1-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
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