(E)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
Formula:C14H9N3O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile |
| MolecularFormula | C14H9N3O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1ccco1 |
| InChI | InChI=1S/C14H9N3O/c15-9-10(8-11-4-3-7-18-11)14-16-12-5-1-2-6-13(12)17-14/h1-8H,(H,16,17) |
| InChIK | PINFVMBXAWOWAD-UHFFFAOYSA-N |
| TotalMolweight | 235.245 |
| Molweight | 235.245 |
| MonoisotopicMass | 235.074562 |
| CLogP | 2.0104 |
| CLogS | -2.806 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.06 |
| Relative PSA | 0.27403 |
| PolarSurfaceArea | 65.61 |
| Druglikeness | -3.9724 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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