N-[(Z)-(2-chlorophenyl)methylideneamino]-4-cyano-2-fluorobenzamide
Formula:C15H9N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-cyano-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-4-cyano-2-fluorobenzamide |
| MolecularFormula | C15H9N3OClF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C15H9ClFN3O/c16-13-4-2-1-3-11(13)9-19-20-15(21)12-6-5-10(8-18)7-14(12)17/h1-7,9H,(H,20,21) |
| InChIK | KZRZIGMMYGBXCP-UHFFFAOYSA-N |
| TotalMolweight | 301.707 |
| Molweight | 301.707 |
| MonoisotopicMass | 301.041817 |
| CLogP | 3.744 |
| CLogS | -5.544 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.47 |
| Relative PSA | 0.21508 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.1485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4-cyano-2-fluorobenzamide
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