(Z)-N-[2-(1H-benzimidazol-2-yl)phenyl]-2-bromo-3-phenylprop-2-en-1-imine
Formula:C22H16N3Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z)-N-[2-(1H-benzimidazol-2-yl)phenyl]-2-bromo-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z)-N-[2-(1H-benzimidazol-2-yl)phenyl]-2-bromo-3-phenylprop-2-en-1-imine |
| MolecularFormula | C22H16N3Br |
| Smiles | Br/C(/C=N/c(cccc1)c1-c1nc(cccc2)c2[nH]1)=C\c1ccccc1 |
| InChI | InChI=1S/C22H16BrN3/c23-17(14-16-8-2-1-3-9-16)15-24-19-11-5-4-10-18(19)22-25-20-12-6-7-13-21(20)26-22/h1-15H,(H,25,26) |
| InChIK | MLINQZJTUGRBII-UHFFFAOYSA-N |
| TotalMolweight | 402.294 |
| Molweight | 402.294 |
| MonoisotopicMass | 401.052758 |
| CLogP | 4.8869 |
| CLogS | -6.639 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 283.81 |
| Relative PSA | 0.1285 |
| PolarSurfaceArea | 41.04 |
| Druglikeness | -4.4213 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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