(E)-2-(1H-benzimidazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile
Formula:C22H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile |
| MolecularFormula | C22H15N3 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H15N3/c23-15-19(22-24-20-8-4-5-9-21(20)25-22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,(H,24,25) |
| InChIK | YXLDVRUODWXMQC-UHFFFAOYSA-N |
| TotalMolweight | 321.382 |
| Molweight | 321.382 |
| MonoisotopicMass | 321.126597 |
| CLogP | 4.4809 |
| CLogS | -5.21 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.13 |
| Relative PSA | 0.14695 |
| PolarSurfaceArea | 52.47 |
| Druglikeness | -3.8125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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