4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile
Formula:C17H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzonitrile |
| MolecularFormula | C17H10N4 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)ccc1C#N |
| InChI | InChI=1S/C17H10N4/c18-10-13-7-5-12(6-8-13)9-14(11-19)17-20-15-3-1-2-4-16(15)21-17/h1-9H,(H,20,21) |
| InChIK | NHYFEKFQPKPKMQ-UHFFFAOYSA-N |
| TotalMolweight | 270.294 |
| Molweight | 270.294 |
| MonoisotopicMass | 270.090546 |
| CLogP | 2.6573 |
| CLogS | -3.897 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.08 |
| Relative PSA | 0.23242 |
| PolarSurfaceArea | 76.26 |
| Druglikeness | -3.8125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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