N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
Formula:C14H9N2O2Br2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-3-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-3-fluorobenzamide |
| MolecularFormula | C14H9N2O2Br2F |
| Smiles | Oc(cc(/C=N\NC(c1cc(F)ccc1)=O)c(Br)c1)c1Br |
| InChI | InChI=1S/C14H9Br2FN2O2/c15-11-6-12(16)13(20)5-9(11)7-18-19-14(21)8-2-1-3-10(17)4-8/h1-7,20H,(H,19,21) |
| InChIK | YCCVOBCCOJDJDO-UHFFFAOYSA-N |
| TotalMolweight | 416.043 |
| Molweight | 416.043 |
| MonoisotopicMass | 413.901478 |
| CLogP | 4.4071 |
| CLogS | -5.407 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 236.95 |
| Relative PSA | 0.20726 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.2904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| 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 | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-3-fluorobenzamide | 2 - N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
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