[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] benzoate
Formula:C23H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] benzoate is a drug-like molecule.
| MolName | [2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] benzoate |
| MolecularFormula | C23H15N3O2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cccc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H15N3O2/c24-15-18(22-25-19-11-5-6-12-20(19)26-22)14-17-10-4-7-13-21(17)28-23(27)16-8-2-1-3-9-16/h1-14H,(H,25,26) |
| InChIK | OJNMPOKKAAHJHM-UHFFFAOYSA-N |
| TotalMolweight | 365.391 |
| Molweight | 365.391 |
| MonoisotopicMass | 365.116427 |
| CLogP | 4.2522 |
| CLogS | -4.594 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 289.88 |
| Relative PSA | 0.21236 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | -3.628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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