2-bromo-4-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate
Formula:C13H8N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-4-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate is a drug-like molecule.
| MolName | 2-bromo-4-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate |
| MolecularFormula | C13H8N4O4Br |
| Smiles | [O-]c(c(/C=N\NC(c1ncccc1)=O)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C13H9BrN4O4/c14-10-6-9(18(21)22)5-8(12(10)19)7-16-17-13(20)11-3-1-2-4-15-11/h1-7,19H,(H,17,20)/p-1 |
| InChIK | FGBCDFUIFACKLH-UHFFFAOYSA-M |
| TotalMolweight | 364.135 |
| Molweight | 364.135 |
| MonoisotopicMass | 362.972892 |
| CLogP | 0.1346 |
| CLogS | -3.948 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 235.58 |
| Relative PSA | 0.38917 |
| PolarSurfaceArea | 123.23 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-4-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate | 2 - 2-bromo-4-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off