(Z)-N-(benzimidazol-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(benzimidazol-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(benzimidazol-1-yl)-1-(1,3-benzodioxol-5-yl)methanimine |
| MolecularFormula | C15H11N3O2 |
| Smiles | C1Oc(cc(/C=N\n2c(cccc3)c3nc2)cc2)c2O1 |
| InChI | InChI=1S/C15H11N3O2/c1-2-4-13-12(3-1)16-9-18(13)17-8-11-5-6-14-15(7-11)20-10-19-14/h1-9H,10H2 |
| InChIK | UEANOLGQCKTKQX-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 3.1694 |
| CLogS | -6.282 |
| H Acceptors | 5 |
| TotalSurfaceArea | 200.6 |
| Relative PSA | 0.24601 |
| PolarSurfaceArea | 48.64 |
| Druglikeness | 3.3356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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