2-bromo-6-[(Z)-(carbamoylhydrazinylidene)methyl]-4-nitrophenolate
Formula:C8H6N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-6-[(Z)-(carbamoylhydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-bromo-6-[(Z)-(carbamoylhydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C8H6N4O4Br |
| Smiles | NC(N/N=C\c1cc([N+]([O-])=O)cc(Br)c1[O-])=O |
| InChI | InChI=1S/C8H7BrN4O4/c9-6-2-5(13(16)17)1-4(7(6)14)3-11-12-8(10)15/h1-3,14H,(H3,10,12,15)/p-1 |
| InChIK | BAZNWWWZMVGBOG-UHFFFAOYSA-M |
| TotalMolweight | 302.064 |
| Molweight | 302.064 |
| MonoisotopicMass | 300.957242 |
| CLogP | -0.9848 |
| CLogS | -3.812 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 185.58 |
| Relative PSA | 0.51719 |
| PolarSurfaceArea | 136.36 |
| Druglikeness | -2.7075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-6-[(Z)-(carbamoylhydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-bromo-6-[(Z)-(carbamoylhydrazinylidene)methyl]-4-nitrophenolate
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