(E)-2-(1H-benzimidazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
Formula:C23H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile |
| MolecularFormula | C23H17N3O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H17N3O/c24-15-19(23-25-21-8-4-5-9-22(21)26-23)14-17-10-12-20(13-11-17)27-16-18-6-2-1-3-7-18/h1-14H,16H2,(H,25,26) |
| InChIK | CWLUCIGYHZQTCW-UHFFFAOYSA-N |
| TotalMolweight | 351.408 |
| Molweight | 351.408 |
| MonoisotopicMass | 351.137162 |
| CLogP | 4.1698 |
| CLogS | -4.465 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.89 |
| Relative PSA | 0.16972 |
| PolarSurfaceArea | 61.7 |
| Druglikeness | -4.0185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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