3-[3-[(Z)-2-cyano-2-(3-cyanophenyl)ethenyl]indol-1-yl]propanamide
Formula:C21H16N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[3-[(Z)-2-cyano-2-(3-cyanophenyl)ethenyl]indol-1-yl]propanamide is a drug-like molecule.
| MolName | 3-[3-[(Z)-2-cyano-2-(3-cyanophenyl)ethenyl]indol-1-yl]propanamide |
| MolecularFormula | C21H16N4O |
| Smiles | NC(CCn1c(cccc2)c2c(/C=C(/c2cc(C#N)ccc2)\C#N)c1)=O |
| InChI | InChI=1S/C21H16N4O/c22-12-15-4-3-5-16(10-15)17(13-23)11-18-14-25(9-8-21(24)26)20-7-2-1-6-19(18)20/h1-7,10-11,14H,8-9H2,(H2,24,26) |
| InChIK | ICVWQAYMYNPHNX-UHFFFAOYSA-N |
| TotalMolweight | 340.385 |
| Molweight | 340.385 |
| MonoisotopicMass | 340.132411 |
| CLogP | 2.3767 |
| CLogS | -4.416 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.74 |
| Relative PSA | 0.22351 |
| PolarSurfaceArea | 95.6 |
| Druglikeness | -1.6793 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| 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 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[3-[(Z)-2-cyano-2-(3-cyanophenyl)ethenyl]indol-1-yl]propanamide | 2 - 3-[3-[(Z)-2-cyano-2-(3-cyanophenyl)ethenyl]indol-1-yl]propanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off