N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]acetamide
Formula:C14H11N8OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]acetamide |
| MolecularFormula | C14H11N8OCl3 |
| Smiles | O=C(Cn1nnc(Cn(cn2)c(Cl)c2Cl)n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H11Cl3N8O/c15-10-3-1-9(2-4-10)5-19-21-12(26)7-25-22-11(20-23-25)6-24-8-18-13(16)14(24)17/h1-5,8H,6-7H2,(H,21,26) |
| InChIK | VGNMRVPQZSJITE-UHFFFAOYSA-N |
| TotalMolweight | 413.655 |
| Molweight | 413.655 |
| MonoisotopicMass | 412.012138 |
| CLogP | 2.4227 |
| CLogS | -1.93 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 293.97 |
| Relative PSA | 0.3185 |
| PolarSurfaceArea | 102.88 |
| Druglikeness | 2.5682 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[5-[(4,5-dichloroimidazol-1-yl)methyl]tetrazol-2-yl]acetamide
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