N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
Formula:C17H11N6OCl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide |
| MolecularFormula | C17H11N6OCl2F3 |
| Smiles | O=C(Cn1nnc(-c2c(C(F)(F)F)cccc2)n1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H11Cl2F3N6O/c18-13-6-3-7-14(19)11(13)8-23-24-15(29)9-28-26-16(25-27-28)10-4-1-2-5-12(10)17(20,21)22/h1-8H,9H2,(H,24,29) |
| InChIK | LABGWEZBJCQHIX-UHFFFAOYSA-N |
| TotalMolweight | 443.215 |
| Molweight | 443.215 |
| MonoisotopicMass | 442.032347 |
| CLogP | 4.5732 |
| CLogS | -6.039 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.29 |
| Relative PSA | 0.24745 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -6.138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
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