| MolName | (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(4-fluorophenyl)prop-2-enehydrazide |
| MolecularFormula | C21H15N2O3Br2F |
| Smiles | O=C(COc(ccc1cc(Br)ccc11)c1Br)NNC(/C=C/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C21H15Br2FN2O3/c22-15-5-8-17-14(11-15)4-9-18(21(17)23)29-12-20(28)26-25-19(27)10-3-13-1-6-16(24)7-2-13/h1-11H,12H2,(H,25,27)(H,26,28) |
| InChIK | ZCIAJWUMGKWXFS-UHFFFAOYSA-N |
| TotalMolweight | 522.167 |
| Molweight | 522.167 |
| MonoisotopicMass | 519.943343 |
| CLogP | 4.2673 |
| CLogS | -7.048 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 319.91 |
| Relative PSA | 0.18443 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -2.5924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(4-fluorophenyl)prop-2-enehydrazide | 2 - (E)-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3-(4-fluorophenyl)prop-2-enehydrazide