N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(3,5-dichlorophenyl)tetrazol-2-yl]acetamide
Formula:C16H11N6OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(3,5-dichlorophenyl)tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(3,5-dichlorophenyl)tetrazol-2-yl]acetamide |
| MolecularFormula | C16H11N6OCl3 |
| Smiles | O=C(Cn1nnc(-c2cc(Cl)cc(Cl)c2)n1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C16H11Cl3N6O/c17-12-5-11(6-13(18)7-12)16-22-24-25(23-16)9-15(26)21-20-8-10-3-1-2-4-14(10)19/h1-8H,9H2,(H,21,26) |
| InChIK | QWPRUAFWXKPCKC-UHFFFAOYSA-N |
| TotalMolweight | 409.663 |
| Molweight | 409.663 |
| MonoisotopicMass | 408.00599 |
| CLogP | 4.3309 |
| CLogS | -5.997 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.25 |
| Relative PSA | 0.25933 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.052 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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-chlorophenyl)methylideneamino]-2-[5-(3,5-dichlorophenyl)tetrazol-2-yl]acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-(3,5-dichlorophenyl)tetrazol-2-yl]acetamide
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