2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]acetamide
Formula:C18H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]acetamide |
| MolecularFormula | C18H14N4O2 |
| Smiles | NC(COc1c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cccc1)=O |
| InChI | InChI=1S/C18H14N4O2/c19-10-13(18-21-14-6-2-3-7-15(14)22-18)9-12-5-1-4-8-16(12)24-11-17(20)23/h1-9H,11H2,(H2,20,23)(H,21,22) |
| InChIK | IOLJAGOANPBOKB-UHFFFAOYSA-N |
| TotalMolweight | 318.335 |
| Molweight | 318.335 |
| MonoisotopicMass | 318.111676 |
| CLogP | 1.4839 |
| CLogS | -2.993 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.4 |
| Relative PSA | 0.3044 |
| PolarSurfaceArea | 104.79 |
| Druglikeness | -3.0173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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