(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]-N-phenylprop-2-enamide
Formula:C21H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]-N-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]-N-phenylprop-2-enamide |
| MolecularFormula | C21H16N4O |
| Smiles | N#CCCn1c(cccc2)c2c(/C=C(/C(Nc2ccccc2)=O)\C#N)c1 |
| InChI | InChI=1S/C21H16N4O/c22-11-6-12-25-15-17(19-9-4-5-10-20(19)25)13-16(14-23)21(26)24-18-7-2-1-3-8-18/h1-5,7-10,13,15H,6,12H2,(H,24,26) |
| InChIK | APUYKNQCRGETJJ-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 3.1165 |
| CLogS | -4.381 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.68 |
| Relative PSA | 0.20765 |
| PolarSurfaceArea | 81.61 |
| Druglikeness | -2.8921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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