2-[(E)-2-anilinoethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
Formula:C27H16N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-anilinoethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 2-[(E)-2-anilinoethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile |
| MolecularFormula | C27H16N3OF |
| Smiles | N#Cc(c(/C=C/Nc1ccccc1)nc(-c1c2cccc1)c1C2=O)c1-c(cccc1)c1F |
| InChI | InChI=1S/C27H16FN3O/c28-22-13-7-6-12-20(22)24-21(16-29)23(14-15-30-17-8-2-1-3-9-17)31-26-18-10-4-5-11-19(18)27(32)25(24)26/h1-15,30H |
| InChIK | UEMGJHIHZMOSGL-UHFFFAOYSA-N |
| TotalMolweight | 417.442 |
| Molweight | 417.442 |
| MonoisotopicMass | 417.12774 |
| CLogP | 5.2933 |
| CLogS | -8.892 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 321.57 |
| Relative PSA | 0.15247 |
| PolarSurfaceArea | 65.78 |
| Druglikeness | -5.6668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - 2-[(E)-2-anilinoethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile | 2 - 2-[(E)-2-anilinoethenyl]-4-(2-fluorophenyl)-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
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