2-[1-[(Z)-3-oxo-1-phenyl-3-(4-phenylphenyl)prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Formula:C29H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(Z)-3-oxo-1-phenyl-3-(4-phenylphenyl)prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile is not a drug-like molecule.
| MolName | 2-[1-[(Z)-3-oxo-1-phenyl-3-(4-phenylphenyl)prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile |
| MolecularFormula | C29H19N3O |
| Smiles | N#CC(C#N)=C(C=CC=C1)N1/C(/C(c(cc1)ccc1-c1ccccc1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C29H19N3O/c30-20-26(21-31)27-13-7-8-18-32(27)28(19-22-9-3-1-4-10-22)29(33)25-16-14-24(15-17-25)23-11-5-2-6-12-23/h1-19H |
| InChIK | LHRGTZFOQROXHI-UHFFFAOYSA-N |
| TotalMolweight | 425.49 |
| Molweight | 425.49 |
| MonoisotopicMass | 425.152812 |
| CLogP | 5.5718 |
| CLogS | -7.609 |
| H Acceptors | 4 |
| TotalSurfaceArea | 351.38 |
| Relative PSA | 0.1244 |
| 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 | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 8 |
| BasicNitrogens | 1 |
| StereoCon |
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