N-[(E)-1-(1H-benzimidazol-2-yl)-2-naphthalen-1-ylethenyl]-3-bromobenzamide
Formula:C26H18N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(1H-benzimidazol-2-yl)-2-naphthalen-1-ylethenyl]-3-bromobenzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-naphthalen-1-ylethenyl]-3-bromobenzamide |
| MolecularFormula | C26H18N3OBr |
| Smiles | O=C(c1cccc(Br)c1)N/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C26H18BrN3O/c27-20-11-6-10-19(15-20)26(31)30-24(25-28-22-13-3-4-14-23(22)29-25)16-18-9-5-8-17-7-1-2-12-21(17)18/h1-16H,(H,28,29)(H,30,31) |
| InChIK | KIKRUQLMTJRJHP-UHFFFAOYSA-N |
| TotalMolweight | 468.353 |
| Molweight | 468.353 |
| MonoisotopicMass | 467.063323 |
| CLogP | 6.0244 |
| CLogS | -6.664 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 322.86 |
| Relative PSA | 0.15319 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 0.43577 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-naphthalen-1-ylethenyl]-3-bromobenzamide | 2 - N-[(E)-1-(1H-benzimidazol-2-yl)-2-naphthalen-1-ylethenyl]-3-bromobenzamide
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