N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-fluorobenzamide
Formula:C12H8N2OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-fluorobenzamide |
| MolecularFormula | C12H8N2OClFS |
| Smiles | O=C(c(cccc1)c1F)N/N=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C12H8ClFN2OS/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,(H,16,17) |
| InChIK | IPSRHKHFNCFZBC-UHFFFAOYSA-N |
| TotalMolweight | 282.726 |
| Molweight | 282.726 |
| MonoisotopicMass | 282.002988 |
| CLogP | 3.9797 |
| CLogS | -4.798 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 204.7 |
| Relative PSA | 0.27538 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 4.2978 |
| 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 | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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1 - N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-fluorobenzamide | 2 - N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-2-fluorobenzamide
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