[4-bromo-2-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C19H13N4O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C19H13N4O3Br |
| Smiles | O=C(c1nccnc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C19H13BrN4O3/c20-15-6-7-17(27-19(26)13-4-2-1-3-5-13)14(10-15)11-23-24-18(25)16-12-21-8-9-22-16/h1-12H,(H,24,25) |
| InChIK | ULROQQJAEKWGQQ-UHFFFAOYSA-N |
| TotalMolweight | 425.241 |
| Molweight | 425.241 |
| MonoisotopicMass | 424.017102 |
| CLogP | 3.4095 |
| CLogS | -4.459 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 290.65 |
| Relative PSA | 0.27865 |
| PolarSurfaceArea | 93.54 |
| Druglikeness | 2.2076 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off