2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide
Formula:C19H13N6O2ClI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H13N6O2ClI2 |
| Smiles | C#CCOc(c(/C=N\NC(Cn1nnc(-c(cccc2)c2Cl)n1)=O)cc(I)c1)c1I |
| InChI | InChI=1S/C19H13ClI2N6O2/c1-2-7-30-18-12(8-13(21)9-16(18)22)10-23-24-17(29)11-28-26-19(25-27-28)14-5-3-4-6-15(14)20/h1,3-6,8-10H,7,11H2,(H,24,29) |
| InChIK | ZHIAKSVTYSRRAL-UHFFFAOYSA-N |
| TotalMolweight | 646.605 |
| Molweight | 646.605 |
| MonoisotopicMass | 645.887797 |
| CLogP | 3.9503 |
| CLogS | -7.199 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 361.54 |
| Relative PSA | 0.23729 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 1.15 |
| 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 | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide | 2 - 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-(3,5-diiodo-2-prop-2-ynoxyphenyl)methylideneamino]acetamide
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