N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
Formula:C17H12N6OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide |
| MolecularFormula | C17H12N6OClF3 |
| Smiles | O=C(Cn1nnc(-c2c(C(F)(F)F)cccc2)n1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H12ClF3N6O/c18-14-8-4-1-5-11(14)9-22-23-15(28)10-27-25-16(24-26-27)12-6-2-3-7-13(12)17(19,20)21/h1-9H,10H2,(H,23,28) |
| InChIK | OCEGZBZOUFURML-UHFFFAOYSA-N |
| TotalMolweight | 408.77 |
| Molweight | 408.77 |
| MonoisotopicMass | 408.07132 |
| CLogP | 3.9672 |
| CLogS | -5.303 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.87 |
| Relative PSA | 0.26056 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | -6.138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[5-[2-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
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