(E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
Formula:C17H11N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile |
| MolecularFormula | C17H11N3OF2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C17H11F2N3O/c18-17(19)23-15-8-4-1-5-11(15)9-12(10-20)16-21-13-6-2-3-7-14(13)22-16/h1-9,17H,(H,21,22) |
| InChIK | XPZCBJNNSXREGG-UHFFFAOYSA-N |
| TotalMolweight | 311.29 |
| Molweight | 311.29 |
| MonoisotopicMass | 311.087018 |
| CLogP | 2.9911 |
| CLogS | -3.746 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.57 |
| Relative PSA | 0.20423 |
| PolarSurfaceArea | 61.7 |
| Druglikeness | -6.5262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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