2-[3-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]indol-1-yl]acetamide
Formula:C19H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[3-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]indol-1-yl]acetamide |
| MolecularFormula | C19H14N3OCl |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(\c2cccc(Cl)c2)/C#N)c1)=O |
| InChI | InChI=1S/C19H14ClN3O/c20-16-5-3-4-13(9-16)14(10-21)8-15-11-23(12-19(22)24)18-7-2-1-6-17(15)18/h1-9,11H,12H2,(H2,22,24) |
| InChIK | AIBSQOWCYSFYHS-UHFFFAOYSA-N |
| TotalMolweight | 335.793 |
| Molweight | 335.793 |
| MonoisotopicMass | 335.082539 |
| CLogP | 2.6927 |
| CLogS | -4.109 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 258.69 |
| Relative PSA | 0.18841 |
| PolarSurfaceArea | 71.81 |
| Druglikeness | -0.96121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]indol-1-yl]acetamide | 2 - 2-[3-[(E)-2-(3-chlorophenyl)-2-cyanoethenyl]indol-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off