(E)-5-bromo-N-(3,5-dinitropyridin-2-yl)-1-hydroxypyridin-2-imine
Formula:C10H6N5O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-5-bromo-N-(3,5-dinitropyridin-2-yl)-1-hydroxypyridin-2-imine is a drug-like molecule.
| MolName | (E)-5-bromo-N-(3,5-dinitropyridin-2-yl)-1-hydroxypyridin-2-imine |
| MolecularFormula | C10H6N5O5Br |
| Smiles | [O-][N+](c(cc1[N+]([O-])=O)cnc1/N=C(\C=CC(Br)=C1)/N1O)=O |
| InChI | InChI=1S/C10H6BrN5O5/c11-6-1-2-9(14(17)5-6)13-10-8(16(20)21)3-7(4-12-10)15(18)19/h1-5,17H |
| InChIK | QSIAUSYLXJMZLJ-UHFFFAOYSA-N |
| TotalMolweight | 356.092 |
| Molweight | 356.092 |
| MonoisotopicMass | 354.955231 |
| CLogP | -1.3659 |
| CLogS | -3.582 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 215.32 |
| Relative PSA | 0.46429 |
| PolarSurfaceArea | 140.36 |
| Druglikeness | -10.382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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