(Z)-3-(1-naphthalen-2-ylpyrrol-2-yl)-2-phenylprop-2-enenitrile
Formula:C23H16N2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(Z)-3-(1-naphthalen-2-ylpyrrol-2-yl)-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(1-naphthalen-2-ylpyrrol-2-yl)-2-phenylprop-2-enenitrile |
| MolecularFormula | C23H16N2 |
| Smiles | N#C/C(/c1ccccc1)=C\c1cccn1-c1cc2ccccc2cc1 |
| InChI | InChI=1S/C23H16N2/c24-17-21(18-7-2-1-3-8-18)16-22-11-6-14-25(22)23-13-12-19-9-4-5-10-20(19)15-23/h1-16H |
| InChIK | FFAYVZHTWMDDPJ-UHFFFAOYSA-N |
| TotalMolweight | 320.394 |
| Molweight | 320.394 |
| MonoisotopicMass | 320.131348 |
| CLogP | 4.7659 |
| CLogS | -7.572 |
| H Acceptors | 2 |
| TotalSurfaceArea | 263 |
| Relative PSA | 0.077681 |
| PolarSurfaceArea | 28.72 |
| Druglikeness | -3.0475 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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