2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]acetamide
Formula:C19H14N3OF
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]acetamide |
| MolecularFormula | C19H14N3OF |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(\c(cc2)ccc2F)/C#N)c1)=O |
| InChI | InChI=1S/C19H14FN3O/c20-16-7-5-13(6-8-16)14(10-21)9-15-11-23(12-19(22)24)18-4-2-1-3-17(15)18/h1-9,11H,12H2,(H2,22,24) |
| InChIK | IIVPWKDDEYKGAG-UHFFFAOYSA-N |
| TotalMolweight | 319.338 |
| Molweight | 319.338 |
| MonoisotopicMass | 319.11209 |
| CLogP | 2.1875 |
| CLogS | -3.687 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.62 |
| Relative PSA | 0.19526 |
| PolarSurfaceArea | 71.81 |
| Druglikeness | -2.3526 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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