N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetamide
Formula:C16H10N6OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetamide |
| MolecularFormula | C16H10N6OCl4 |
| Smiles | O=C(Cn1nnc(-c2cccc(Cl)c2Cl)n1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C16H10Cl4N6O/c17-11-4-2-5-12(18)10(11)7-21-22-14(27)8-26-24-16(23-25-26)9-3-1-6-13(19)15(9)20/h1-7H,8H2,(H,22,27) |
| InChIK | XQCLYWXMPIKCII-UHFFFAOYSA-N |
| TotalMolweight | 444.108 |
| Molweight | 444.108 |
| MonoisotopicMass | 441.967017 |
| CLogP | 4.9369 |
| CLogS | -6.733 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 307.67 |
| Relative PSA | 0.24634 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetamide
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