[2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C20H11N3O3Br4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C20H11N3O3Br4 |
| Smiles | O=C(c1cncc(Br)c1)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C20H11Br4N3O3/c21-14-3-1-2-11(4-14)20(29)30-18-12(5-15(22)7-17(18)24)9-26-27-19(28)13-6-16(23)10-25-8-13/h1-10H,(H,27,28) |
| InChIK | ARSVVDSNMIGJAE-UHFFFAOYSA-N |
| TotalMolweight | 660.941 |
| Molweight | 660.941 |
| MonoisotopicMass | 656.753386 |
| CLogP | 6.532 |
| CLogS | -7.732 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.78 |
| Relative PSA | 0.20133 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [2,4-dibromo-6-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off