| MolName | N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide |
| MolecularFormula | C25H19N7OCl2 |
| Smiles | O=C(Cn1nnc(-c(cccc2)c2Cl)n1)N/N=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2 |
| InChI | InChI=1S/C25H19Cl2N7O/c26-19-11-9-17(10-12-19)14-33-15-18(20-5-2-4-8-23(20)33)13-28-29-24(35)16-34-31-25(30-32-34)21-6-1-3-7-22(21)27/h1-13,15H,14,16H2,(H,29,35) |
| InChIK | DERNBHOZAZXDSG-UHFFFAOYSA-N |
| TotalMolweight | 504.38 |
| Molweight | 504.38 |
| MonoisotopicMass | 503.102812 |
| CLogP | 5.2546 |
| CLogS | -6.239 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 374.15 |
| Relative PSA | 0.22093 |
| PolarSurfaceArea | 89.99 |
| Druglikeness | 2.3983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide | 2 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide