N-[(Z)-(2-fluorophenyl)methylideneamino]-3,4,5-trihydroxybenzamide
Formula:C14H11N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-3,4,5-trihydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-3,4,5-trihydroxybenzamide |
| MolecularFormula | C14H11N2O4F |
| Smiles | Oc1cc(C(N/N=C\c(cccc2)c2F)=O)cc(O)c1O |
| InChI | InChI=1S/C14H11FN2O4/c15-10-4-2-1-3-8(10)7-16-17-14(21)9-5-11(18)13(20)12(19)6-9/h1-7,18-20H,(H,17,21) |
| InChIK | JSPQPSLQCSFQCJ-UHFFFAOYSA-N |
| TotalMolweight | 290.249 |
| Molweight | 290.249 |
| MonoisotopicMass | 290.070286 |
| CLogP | 2.2653 |
| CLogS | -3.147 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 212.39 |
| Relative PSA | 0.35458 |
| PolarSurfaceArea | 102.15 |
| Druglikeness | 3.0804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-(2-fluorophenyl)methylideneamino]-3,4,5-trihydroxybenzamide | 2 - N-[(Z)-(2-fluorophenyl)methylideneamino]-3,4,5-trihydroxybenzamide
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