N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
Formula:C17H11N6OClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide |
| MolecularFormula | C17H11N6OClF4 |
| Smiles | O=C(Cn1nnc(-c2cc(C(F)(F)F)ccc2)n1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C17H11ClF4N6O/c18-13-5-2-6-14(19)12(13)8-23-24-15(29)9-28-26-16(25-27-28)10-3-1-4-11(7-10)17(20,21)22/h1-8H,9H2,(H,24,29) |
| InChIK | TWYCWNXOPAAOEL-UHFFFAOYSA-N |
| TotalMolweight | 426.76 |
| Molweight | 426.76 |
| MonoisotopicMass | 426.061898 |
| CLogP | 4.068 |
| CLogS | -5.617 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 297.22 |
| Relative PSA | 0.255 |
| 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 | 0.58621 |
| 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 | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
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