(E)-2-(1H-benzimidazol-2-yl)-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enenitrile
Formula:C24H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[3-(2-phenoxyethoxy)phenyl]prop-2-enenitrile |
| MolecularFormula | C24H19N3O2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cccc(OCCOc2ccccc2)c1 |
| InChI | InChI=1S/C24H19N3O2/c25-17-19(24-26-22-11-4-5-12-23(22)27-24)15-18-7-6-10-21(16-18)29-14-13-28-20-8-2-1-3-9-20/h1-12,15-16H,13-14H2,(H,26,27) |
| InChIK | PTXXWEXSUCMNRH-UHFFFAOYSA-N |
| TotalMolweight | 381.434 |
| Molweight | 381.434 |
| MonoisotopicMass | 381.147727 |
| CLogP | 4.1767 |
| CLogS | -4.392 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.65 |
| Relative PSA | 0.18899 |
| PolarSurfaceArea | 70.93 |
| Druglikeness | -10.899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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