[(E)-2-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
Formula:C29H21N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-2-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate is not a drug-like molecule.
| MolName | [(E)-2-[1-[(2-bromophenyl)methyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate |
| MolecularFormula | C29H21N2O2Br |
| Smiles | O=C(c1ccccc1)O/C(/c1ccccc1)=C/c1nc(cccc2)c2n1Cc(cccc1)c1Br |
| InChI | InChI=1S/C29H21BrN2O2/c30-24-16-8-7-15-23(24)20-32-26-18-10-9-17-25(26)31-28(32)19-27(21-11-3-1-4-12-21)34-29(33)22-13-5-2-6-14-22/h1-19H,20H2 |
| InChIK | NTPCUQHCAALUEG-UHFFFAOYSA-N |
| TotalMolweight | 509.402 |
| Molweight | 509.402 |
| MonoisotopicMass | 508.078639 |
| CLogP | 6.7945 |
| CLogS | -5.647 |
| H Acceptors | 4 |
| TotalSurfaceArea | 359.95 |
| Relative PSA | 0.11357 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 0.23551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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