2-[3-[(Z)-2-cyano-2-phenylethenyl]indol-1-yl]acetamide
Formula:C19H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[3-[(Z)-2-cyano-2-phenylethenyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-2-cyano-2-phenylethenyl]indol-1-yl]acetamide |
| MolecularFormula | C19H15N3O |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/c2ccccc2)\C#N)c1)=O |
| InChI | InChI=1S/C19H15N3O/c20-11-15(14-6-2-1-3-7-14)10-16-12-22(13-19(21)23)18-9-5-4-8-17(16)18/h1-10,12H,13H2,(H2,21,23) |
| InChIK | NKPZVJOCIPPANX-UHFFFAOYSA-N |
| TotalMolweight | 301.348 |
| Molweight | 301.348 |
| MonoisotopicMass | 301.121512 |
| CLogP | 2.0867 |
| CLogS | -3.373 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.27 |
| Relative PSA | 0.20035 |
| PolarSurfaceArea | 71.81 |
| Druglikeness | -1.0126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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1 - 2-[3-[(Z)-2-cyano-2-phenylethenyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-2-cyano-2-phenylethenyl]indol-1-yl]acetamide
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