(Z,E)-N-(benzimidazol-1-yl)-3-phenylprop-2-en-1-imine
Formula:C16H13N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-N-(benzimidazol-1-yl)-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-N-(benzimidazol-1-yl)-3-phenylprop-2-en-1-imine |
| MolecularFormula | C16H13N3 |
| Smiles | C(/C=N\n1c(cccc2)c2nc1)=C/c1ccccc1 |
| InChI | InChI=1S/C16H13N3/c1-2-7-14(8-3-1)9-6-12-18-19-13-17-15-10-4-5-11-16(15)19/h1-13H |
| InChIK | XNPJGSGOAUDXHX-UHFFFAOYSA-N |
| TotalMolweight | 247.3 |
| Molweight | 247.3 |
| MonoisotopicMass | 247.110947 |
| CLogP | 3.0763 |
| CLogS | -5.863 |
| H Acceptors | 3 |
| TotalSurfaceArea | 206.84 |
| Relative PSA | 0.1419 |
| PolarSurfaceArea | 30.18 |
| Druglikeness | 3.7025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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