4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile
Formula:C16H9N2OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile |
| MolecularFormula | C16H9N2OCl |
| Smiles | N#Cc1ccc(/C=C(\c(ccc(Cl)c2)c2N2)/C2=O)cc1 |
| InChI | InChI=1S/C16H9ClN2O/c17-12-5-6-13-14(16(20)19-15(13)8-12)7-10-1-3-11(9-18)4-2-10/h1-8H,(H,19,20) |
| InChIK | WJJRUOYCUWUNDZ-UHFFFAOYSA-N |
| TotalMolweight | 280.713 |
| Molweight | 280.713 |
| MonoisotopicMass | 280.04034 |
| CLogP | 2.7073 |
| CLogS | -4.878 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 210.57 |
| Relative PSA | 0.18075 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -1.5309 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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