4-[(E)-3-naphthalen-1-ylprop-2-enoyl]benzonitrile
Formula:C20H13NO
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(E)-3-naphthalen-1-ylprop-2-enoyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(E)-3-naphthalen-1-ylprop-2-enoyl]benzonitrile |
| MolecularFormula | C20H13NO |
| Smiles | N#Cc(cc1)ccc1C(/C=C/c1cccc2ccccc12)=O |
| InChI | InChI=1S/C20H13NO/c21-14-15-8-10-18(11-9-15)20(22)13-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-13H |
| InChIK | WMHPYESEVCADLE-UHFFFAOYSA-N |
| TotalMolweight | 283.329 |
| Molweight | 283.329 |
| MonoisotopicMass | 283.099714 |
| CLogP | 4.3338 |
| CLogS | -6.219 |
| H Acceptors | 2 |
| TotalSurfaceArea | 233.58 |
| Relative PSA | 0.11388 |
| PolarSurfaceArea | 40.86 |
| Druglikeness | -3.9914 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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