3-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]benzonitrile
Formula:C18H11N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]benzonitrile is a drug-like molecule.
| MolName | 3-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]benzonitrile |
| MolecularFormula | C18H11N3 |
| Smiles | N#C/C(/c1cccc(C#N)c1)=C\c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C18H11N3/c19-10-13-4-3-5-14(8-13)15(11-20)9-16-12-21-18-7-2-1-6-17(16)18/h1-9,12,21H |
| InChIK | DPOCFTAWOGRDOD-UHFFFAOYSA-N |
| TotalMolweight | 269.306 |
| Molweight | 269.306 |
| MonoisotopicMass | 269.095297 |
| CLogP | 3.2076 |
| CLogS | -4.927 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225.32 |
| Relative PSA | 0.18245 |
| PolarSurfaceArea | 63.37 |
| Druglikeness | -4.4423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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