| MolName | (Z)-1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C18H14N5Cl |
| Smiles | Clc1c(Cn2c(cccc3)c3c(/C=N\n3cnnc3)c2)cccc1 |
| InChI | InChI=1S/C18H14ClN5/c19-17-7-3-1-5-14(17)10-23-11-15(9-22-24-12-20-21-13-24)16-6-2-4-8-18(16)23/h1-9,11-13H,10H2 |
| InChIK | CUAMOBLTMWJYBL-UHFFFAOYSA-N |
| TotalMolweight | 335.797 |
| Molweight | 335.797 |
| MonoisotopicMass | 335.093772 |
| CLogP | 3.364 |
| CLogS | -6.024 |
| H Acceptors | 5 |
| TotalSurfaceArea | 257.24 |
| Relative PSA | 0.18345 |
| PolarSurfaceArea | 48 |
| Druglikeness | 5.263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (Z)-1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine