N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
Formula:C19H11N3O2ClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide |
| MolecularFormula | C19H11N3O2ClFS |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(o1)ccc1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H11ClFN3O2S/c20-13-2-5-15(6-3-13)27-18-8-4-14(26-18)11-23-24-19(25)16-7-1-12(10-22)9-17(16)21/h1-9,11H,(H,24,25) |
| InChIK | ATISPOXJQSDRCN-UHFFFAOYSA-N |
| TotalMolweight | 399.832 |
| Molweight | 399.832 |
| MonoisotopicMass | 399.024452 |
| CLogP | 4.8512 |
| CLogS | -6.775 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.41 |
| Relative PSA | 0.27292 |
| PolarSurfaceArea | 103.69 |
| Druglikeness | 1.0951 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
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