4-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzonitrile
Formula:C21H12N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzonitrile is a drug-like molecule.
| MolName | 4-[5-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzonitrile |
| MolecularFormula | C21H12N4O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(-c(cc2)ccc2C#N)o1 |
| InChI | InChI=1S/C21H12N4O/c22-12-14-5-7-15(8-6-14)20-10-9-17(26-20)11-16(13-23)21-24-18-3-1-2-4-19(18)25-21/h1-11H,(H,24,25) |
| InChIK | GHWMETFGECMCPP-UHFFFAOYSA-N |
| TotalMolweight | 336.353 |
| Molweight | 336.353 |
| MonoisotopicMass | 336.101111 |
| CLogP | 3.5962 |
| CLogS | -5.357 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.53 |
| Relative PSA | 0.24198 |
| PolarSurfaceArea | 89.4 |
| Druglikeness | -2.5675 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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